Structure Database (LMSD)
Common Name
cis-1,2-dimethylcyclohexane
Systematic Name
cis-1,2-dimethylcyclohexane
Synonyms
3D model of cis-1,2-dimethylcyclohexane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KVZJLSYJROEPSQ-OCAPTIKFSA-N
InChi (Click to copy)
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
SMILES (Click to copy)
[C@@H]1(C)[C@H](C)CCCC1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Nostoc sp.
(#1180)
Separation and identification of hydrocarbons and other volatile compounds from cultured blue-green alga Nostoc sp. by gas chromatography-mass spectrometry using serially coupled capillary columns with consecutive nonpolar and semipolar stationary phases.,
J Chromatogr A, 1999
J Chromatogr A, 1999
Pubmed ID:
10596980
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
134.60
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
2.83
Molar Refractivity
36.80
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Created at
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Updated at
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