Structure Database (LMSD)

Common Name
1-methyl-cyclopentanol
Systematic Name
1-methyl-cyclopentanol
Synonyms
LM ID
LMFA05000538
Formula
C6H12O
Exact Mass
Calculate m/z
100.088815
Sum Composition
FOH 6:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

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)
CAKWRXVKWGUISE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3
SMILES (Click to copy)
C1(C)(O)CCCC1

Other Databases

CHEBI ID
195647
PubChem CID
73830

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 108.79
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.60
Molar Refractivity 29.60

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Updated at
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