Structure Database (LMSD)

Common Name
(Z)-3-Decenyl (E)-2-hexenoate
Systematic Name
(Z)-3-Decenyl (E)-2-hexenoate
Synonyms
  • WE(10:1(3Z)/6:1(2E))
LM ID
LMFA07010530
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
WE 16:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
REWWHOJLOGWTAG-HSINTONASA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3/b11-10-,14-12+
SMILES (Click to copy)
O=C(/C=C/CCC)OCC/C=C\CCCCCC

Other Databases

CHEBI ID
196064
PubChem CID
56935980

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 78.01

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Created at
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Updated at
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