Structure Database (LMSD)
Common Name
1,4-dimethylcyclohexane
Systematic Name
1,4-dimethylcyclohexane
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1,4-dimethylcyclohexane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Nostoc sp.
(#1180)
Cyanophyceae
(#3028117)
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
String Representations
InChiKey (Click to copy)
QRMPKOFEUHIBNM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
SMILES (Click to copy)
C1C(C)CCC(C)C1
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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Updated at
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