2,6,10-Trimethyltetradecane
PubChem CID
85785
Structure
Molecular Formula
Synonyms
- 2,6,10-Trimethyltetradecane
- Tetradecane, 2,6,10-trimethyl-
- 14905-56-7
- UKT7FUH5HQ
- UNII-UKT7FUH5HQ
Molecular Weight
240.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2024-12-07
Description
2,6,10-Trimethyltetradecane has been reported in Nicotiana tabacum with data available.
Chemical Structure Depiction
2,6,10-trimethyltetradecane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C17H36/c1-6-7-11-16(4)13-9-14-17(5)12-8-10-15(2)3/h15-17H,6-14H2,1-5H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IMTCMWSWXFQQDL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCC(C)CCCC(C)CCCC(C)C
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C17H36
Computed by PubChem 2.2 (PubChem release 2021.10.14)
14905-56-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
8.6
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
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
240.281701148 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
240.281701148 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
148
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
2
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)
Standard non-polar
1557, 1555, 1552, 1554, 1555, 1555
Semi-standard non-polar
1533, 1538, 1538, 1539, 1539, 1539, 1540, 1540, 1540, 1545, 1538.7, 1539, 1539, 1540, 1533, 1538, 1540
Other Classes -> Aliphatics, Saturated (>C11)
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 Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IMTCMWSWXFQQDL-UHFFFAOYSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CKALCHPIAAWZLC-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChemIDplus2,6,10-Trimethyltetradecanehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0014905567ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2,6,10-Trimethyltetradecanehttps://comptox.epa.gov/dashboard/DTXSID90933535CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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#linking2,6,10-TRIMETHYLTETRADECANEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/UKT7FUH5HQ
- 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/About2,6,10-Trimethyltetradecanehttps://haz-map.com/Agents/17400
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database2,6,10-Trimethyl-tetradecanehttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00060028
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/2,6,10-Trimethyltetradecanehttps://www.wikidata.org/wiki/Q82909356LOTUS Treehttps://lotus.naturalproducts.net/
- Natural Product Activity and Species Source (NPASS)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawTetradecane, 2,6,10-trimethyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase2,6,10-TRIMETHYLTETRADECANEhttps://spectrabase.com/spectrum/4U9JaAP8mVwTetradecane, 2,6,10-trimethyl-https://spectrabase.com/spectrum/2YBxCvgvPko
- Springer Nature
- SpringerMaterials2,6,10-trimethyl-tetradecanehttps://materials.springer.com/substanceprofile/docs/smsid_aqmijakwkxadfocn
- Wikidata2,6,10-Trimethyltetradecanehttps://www.wikidata.org/wiki/Q82909356
- PubChem
- 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/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389796425https://pubchem.ncbi.nlm.nih.gov/substance/389796425SID 402669938https://pubchem.ncbi.nlm.nih.gov/substance/402669938
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