Structure Database (LMSD)

Common Name
2-methyl-heptane
Systematic Name
2-methyl-heptane
Synonyms
LM ID
LMFA11000604
Formula
C8H18
Exact Mass
Calculate m/z
114.14085
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
JVSWJIKNEAIKJW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
SMILES (Click to copy)
CCCCCC(C)C

Other Databases

HMDB ID
HMDB0061915
CHEBI ID
88849
PubChem CID
11594

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 146.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.22
Molar Refractivity 38.98

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Updated at
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