Decylcyclohexane
PubChem CID
15713
Structure
Molecular Formula
Synonyms
- Decylcyclohexane
- 1795-16-0
- Cyclohexane, decyl-
- N-DECYLCYCLOHEXANE
- 1-Cyclohexyldecane
Molecular Weight
224.42 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-02-01
Description
1-Cyclohexyldecane is a cycloalkane.
Decylcyclohexane has been reported in Aspergillus ustus and Aloe vera with data available.
Chemical Structure Depiction
decylcyclohexane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
STWFZICHPLEOIC-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCCCC1CCCCC1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H32
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Decylcyclohexane
- 1795-16-0
- Cyclohexane, decyl-
- N-DECYLCYCLOHEXANE
- 1-Cyclohexyldecane
- 1-Decylcyclohexane
- Decane, 1-cyclohexyl-
- 7X5R5EE4ST
- Cyclohexane, n-decyl-
- NSC-74192
- DTXSID8061973
- nDecylcyclohexane
- 1Cyclohexyldecane
- 1Decylcyclohexane
- decyl-Cyclohexane
- Cyclohexane, decyl
- Cyclohexane,decyl-
- NSC74192
- EINECS 217-272-3
- Decane, 1cyclohexyl
- MFCD00055277
- NSC 74192
- UNII-7X5R5EE4ST
- NCIOpen2_003924
- Decane, 1cyclohexyl (8CI)
- DTXCID2035697
- CHEBI:227016
- AKOS040744772
- HY-W142997
- DA-72629
- LS-14546
- CS-0205026
- D1231
- NS00021768
- D89817
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
224.42 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
8.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
224.250401021 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
224.250401021 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
133
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
0.00103 [mmHg]
Standard non-polar
1648.54 , 1653.53 , 1656.86 , 1640 , 1642 , 1658 , 1638
Semi-standard non-polar
1650.7 , 1655.9 , 1656.2 , 1656.2 , 1658.4 , 1650.7 , 1655.9 , 1656.2 , 1656.2 , 1658.4 , 1655.41 , 1660.95 , 1664.11 , 1656 , 1679
Other Classes -> Aliphatics, Saturated (>C11)
Cycloalkane
S120 | DUSTCT2024 | Substances from Second NORMAN Collaborative Dust Trial | DOI:10.5281/zenodo.13835254
1D NMR Spectra
NIST Number
118889
Library
Main library
Total Peaks
73
m/z Top Peak
83
m/z 2nd Highest
82
m/z 3rd Highest
55
Thumbnail
NIST Number
22741
Library
Replicate library
Total Peaks
84
m/z Top Peak
83
m/z 2nd Highest
82
m/z 3rd Highest
55
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
EPA TSCA Commercial Activity Status
Cyclohexane, decyl-: INACTIVE
Overexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See Cyclohexane.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=STWFZICHPLEOIC-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Decylcyclohexanehttps://commonchemistry.cas.org/detail?cas_rn=1795-16-0
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA Chemicals under the TSCACyclohexane, decyl-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxDecylcyclohexanehttps://comptox.epa.gov/dashboard/DTXSID8061973CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingDECYLCYCLOHEXANEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7X5R5EE4ST
- ChEBI1-Cyclohexyldecanehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:227016
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Decylcyclohexanehttps://www.wikidata.org/wiki/Q77512870LOTUS Treehttps://lotus.naturalproducts.net/
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/AboutDecylcyclohexanehttps://haz-map.com/Agents/13437
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/terms1-Cyclohexyldecanehttps://www.npatlas.org/explore/compounds/NPA013049The Natural Products Atlas Classificationhttps://www.npatlas.org/
- Metabolomics Workbench
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawCyclohexane, decyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCyclohexane, decyl-https://spectrabase.com/spectrum/AWrSlOuN6s9Cyclohexane, decyl-https://spectrabase.com/spectrum/6HCsm7MT5uh1-CYCLOHEXYLDECANEhttps://spectrabase.com/spectrum/6fGhyc2CRSa1-cyclohexyldecanehttps://spectrabase.com/spectrum/Fq21G3NS6Ah1-CYCLOHEXYLDECANEhttps://spectrabase.com/spectrum/2mwHDHlzrbfDECANE, 1-CYCLOHEXYL-,https://spectrabase.com/spectrum/6TX1NmMAUrI
- NMRShiftDB
- Springer Nature
- SpringerMaterials
- Wikidata1-cyclohexyldecanehttps://www.wikidata.org/wiki/Q77512870
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388369260https://pubchem.ncbi.nlm.nih.gov/substance/388369260
CONTENTS