Structure Database (LMSD)

Common Name
3-Ethylundecane
Systematic Name
3-Ethylundecane
Synonyms
  • 9-Ethylundecane
LM ID
LMFA11000709
Formula
C13H28
Exact Mass
Calculate m/z
184.2191
Status
Active
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
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)
NJDOLAPZCLPAHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-4-7-8-9-10-11-12-13(5-2)6-3/h13H,4-12H2,1-3H3
SMILES (Click to copy)
CCC(CC)CCCCCCCC

Other Databases

PubChem CID
519397

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 233.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.17
Molar Refractivity 62.07

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Updated at
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