1,7-Dimethyl-4-(1-methylethyl)cyclodecane
PubChem CID
543807
Structure
Molecular Formula
Synonyms
- 1,7-Dimethyl-4-(1-methylethyl)cyclodecane
- 645-10-3
- 1,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomer
- Cyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomer
- DTXSID50880713
Molecular Weight
210.40 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Chemical Structure Depiction
1,7-dimethyl-4-propan-2-ylcyclodecane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IBMAYSYTZAVZPY-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1CCCC(CCC(CC1)C(C)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H30
Computed by PubChem 2.2 (PubChem release 2021.10.14)
645-10-3
- 1,7-Dimethyl-4-(1-methylethyl)cyclodecane
- 645-10-3
- 1,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomer
- Cyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomer
- DTXSID50880713
- Germacrane-b
- Germacrane-d
- GERMACRANE SKELETON
- DTXCID901022076
- 4-Isopropyl-1,7-dimethylcyclodecane #
- NS00096022
- Cyclodecane, 1,7dimethyl4(1methylethyl), stereoisomer
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
210.40 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
7
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
210.234750957 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
210.234750957 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
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
145
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
1475 , 1476 , 1477 , 1492 , 1487 , 1489 , 1489 , 1479 , 1479 , 1480 , 1482
Standard polar
1572 , 1585
Semi-standard non-polar
1485
Other Classes -> Other Organic Compounds
NIST Number
249054
Library
Main library
Total Peaks
46
m/z Top Peak
55
m/z 2nd Highest
69
m/z 3rd Highest
97
Thumbnail
NIST Number
72829
Library
Replicate library
Total Peaks
48
m/z Top Peak
55
m/z 2nd Highest
69
m/z 3rd Highest
41
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 Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IBMAYSYTZAVZPY-UHFFFAOYSA-N
- ChemIDplus1,7-Dimethyl-4-(1-methylethyl)cyclodecanehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000645103ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1,7-dimethyl-4-(1-methylethyl)cyclodecanehttps://comptox.epa.gov/dashboard/DTXSID50880713CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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/About1,7- Dimethyl-4-(1-methylethyl)cyclodecanehttps://haz-map.com/Agents/7931
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1,7-Dimethyl-4-(1-methylethyl)cyclodecanehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseGERMACRANE-Bhttps://spectrabase.com/spectrum/GnjCZzwKmnUGERMACRANE-Dhttps://spectrabase.com/spectrum/23SHCCt0l3X
- Springer Nature
- Wikidata1,7-dimethyl-4-(1-methylethyl)cyclodecanehttps://www.wikidata.org/wiki/Q82862079
- 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 390152036https://pubchem.ncbi.nlm.nih.gov/substance/390152036
CONTENTS