Structure Database (LMSD)

Common Name
Butylcyclohexane
Systematic Name
Butylcyclohexane
Synonyms
LM ID
LMFA11000657
Formula
C10H20
Exact Mass
Calculate m/z
140.1565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

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)
GGBJHURWWWLEQH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
SMILES (Click to copy)
C1(CCCC)CCCCC1

Other Databases

HMDB ID
HMDB0041402
PubChem CID
15506

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 169.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.76
Molar Refractivity 46.10

Admin

Created at
-
Updated at
-