Structure Database (LMSD)

Common Name
5-Butylnonane
Systematic Name
5-Butylnonane
Synonyms
LM ID
LMFA11000705
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)
YXSQPZMAIVSYDV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-4-7-10-13(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3
SMILES (Click to copy)
C(C(CCCC)CCCC)CCC

Other Databases

PubChem CID
300476

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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