Structure Database (LMSD)

Common Name
4-ethyl-heptane
Systematic Name
4-ethyl-heptane
Synonyms
LM ID
LMFA11000607
Formula
C9H20
Exact Mass
Calculate m/z
128.1565
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)
XMROPFQWHHUFFS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
SMILES (Click to copy)
CCCC(CC)CCC

Other Databases

PubChem CID
16663

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 164.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.61
Molar Refractivity 43.60

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Updated at
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