Structure Database (LMSD)

Common Name
1,2-dimethylpropyl-cyclohexane
Systematic Name
1,2-dimethylpropyl-cyclohexane
Synonyms
LM ID
LMFA11000628
Formula
C11H22
Exact Mass
Calculate m/z
154.17215
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

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
Pubmed ID: 10596980

String Representations

InChiKey (Click to copy)
FGMIBQACCWIIBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22/c1-9(2)10(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
SMILES (Click to copy)
C1(C(C)C(C)C)CCCCC1

Other Databases

CHEBI ID
186984
PubChem CID
550315

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 186.50
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.86
Molar Refractivity 50.58

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