Structure Database (LMSD)

Common Name
6-Pentylundecane
Systematic Name
6-Pentylundecane
Synonyms
LM ID
LMFA11000707
Formula
C16H34
Exact Mass
Calculate m/z
226.26605
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
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)
HSYCPONOCCYPEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H34/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3
SMILES (Click to copy)
C(CCC)CC(CCCCC)CCCCC

Other Databases

PubChem CID
243269

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 285.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.34
Molar Refractivity 75.92

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Updated at
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