Structure Database (LMSD)

Common Name
6,10-Dimethyl-5(E),9-undecadien-2-one
Systematic Name
6,10-Dimethyl-5(E),9-undecadien-2-one
Synonyms
LM ID
LMFA11000696
Formula
C13H22O
Exact Mass
Calculate m/z
194.167065
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
InChi (Click to copy)
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
SMILES (Click to copy)
CC(=O)CC/C=C(\C)/CC/C=C(\C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microcoleus vaginatus (#119532)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Pubmed ID: 11357397

Other Databases

CHEBI ID
67206
PubChem CID
1549778

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 234.33
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.05
Molar Refractivity 62.34

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Updated at
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