Structure Database (LMSD)

O
Common Name
1,11-Dodecadien-3-one
Systematic Name
1,11-Dodecadien-3-one
Synonyms
LM ID
LMFA12000161
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
PSYAZFDFYVRPKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3H,1,4-11H2,2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCC=C

References

Other Databases

PubChem CID
17825237

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.88
Molar Refractivity 57.81

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Created at
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Updated at
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