Structure Database (LMSD)
Common Name
Isopropyl-cyclohexane
Systematic Name
1-methylethyl-cyclohexane
Synonyms
3D model of Isopropyl-cyclohexane
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)
GWESVXSMPKAFAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
SMILES (Click to copy)
C1(C(C)C)CCCCC1
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
9
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
151.90
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.22
Molar Refractivity
41.41
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Updated at
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