Structure Database (LMSD)

Common Name
WE 9:1(3Z)/6:1(2E)
Systematic Name
(Z)-3-Nonenyl (E)-2-hexenoate
Synonyms
  • WE(9:1(3Z)/6:1(2E))
LM ID
LMFA07010631
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
Sum Composition
WE 15:2
Status
Curated
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rosalia funebris (#3116773)
Insecta (#50557)
Male-produced aggregation pheromone of the cerambycid beetle Rosalia funebris.,
J Chem Ecol, 2009
Pubmed ID: 19139960

String Representations

InChiKey (Click to copy)
ZBOHTTYDVIINPB-AZQRDTPRSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+
SMILES (Click to copy)
O=C(/C=C/CCC)OCC/C=C\CCCCC

Other Databases

PubChem CID
56936014

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.70
Molar Refractivity 73.40

Admin

Created at
-
Updated at
8th Apr 2025