Structure Database (LMSD)

O O
Common Name
(Z)-3-Hexenyl hexadecanoate
Systematic Name
(Z)-3-Hexenyl hexadecanoate
Synonyms
  • WE(6:1(3Z)/16:0)
LM ID
LMFA07010591
Formula
C22H42O2
Exact Mass
Calculate m/z
338.31848
Sum Composition
WE 22:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IUZMHZICJDXCSE-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCC/C=C\CC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180027
PubChem CID
56936004

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.65
Molar Refractivity 105.81

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Created at
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Updated at
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