Structure Database (LMSD)
Common Name
1-methyl-3-isopropylcyclohexane
Systematic Name
1-methyl-3-(1-methylethyl)-cyclohexane
Synonyms
3D model of 1-methyl-3-isopropylcyclohexane
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)
QRDCBPPMQOPHOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
SMILES (Click to copy)
C1(C(C)C)CC(C)CCC1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
169.20
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.47
Molar Refractivity
45.96
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Updated at
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