Structure Database (LMSD)

Common Name
(E)-2-Hexenyl (Z)-3-hexenoate
Systematic Name
(E)-2-Hexenyl (Z)-3-hexenoate
Synonyms
  • WE(6:1(2E)/6:1(3Z))
LM ID
LMFA07010589
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
WE 12:2
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)
JNQWJWVBGRTRTA-MKKAVFGOSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h6-9H,3-5,10-11H2,1-2H3/b8-6-,9-7+
SMILES (Click to copy)
O=C(C/C=C\CC)OC/C=C/CCC

Other Databases

CHEBI ID
195911
PubChem CID
56936003

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.55

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Created at
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Updated at
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