Structure Database (LMSD)

Common Name
1,2-dimethylcyclopentane
Systematic Name
1,2-dimethylcyclopentane
Synonyms
LM ID
LMFA11000663
Formula
C7H14
Exact Mass
Calculate m/z
98.10955
Status
Curated
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)
RIRARCHMRDHZAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3
SMILES (Click to copy)
C1CCC(C)C1C

Other Databases

CHEBI ID
187606
PubChem CID
17148

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 2.44
Molar Refractivity 32.18

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Updated at
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