Structure Database (LMSD)

Common Name
2,3,7-trimethyloctane
Systematic Name
2,3,7-trimethyloctane
Synonyms
LM ID
LMFA11000620
Formula
C11H24
Exact Mass
Calculate m/z
156.1878
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)
XJKKSYAVEVAGFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
SMILES (Click to copy)
CC(C)CCCC(C)C(C)C

Other Databases

PubChem CID
43867

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 198.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.10
Molar Refractivity 52.69

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Updated at
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