Structure Database (LMSD)

Common Name
3-Ethylpentane
Systematic Name
3-Ethylpentane
Synonyms
LM ID
LMFA11000702
Formula
C7H16
Exact Mass
Calculate m/z
100.1252
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
Microcoleus vaginatus (#119532)
Cyanophyceae (#3028117)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Pubmed ID: 11357397

String Representations

InChiKey (Click to copy)
AORMDLNPRGXHHL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
SMILES (Click to copy)
CCC(CC)CC

Other Databases

CHEBI ID
165737
PubChem CID
12048

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 129.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.83
Molar Refractivity 34.36

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Updated at
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