Structure Database (LMSD)
Common Name
Methylcyclohexane
Systematic Name
Methylcyclohexane
Synonyms
3D model of Methylcyclohexane
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)
UAEPNZWRGJTJPN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
SMILES (Click to copy)
C1(C)CCCCC1
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
117.30
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
2.59
Molar Refractivity
32.25
Admin
Created at
-
Updated at
-