Structure Database (LMSD)
Common Name
SFE 16:2(11Z,13E)/2:0
Systematic Name
11Z,13E-Hexadecadienyl acetate
Synonyms
- SFE(16:2(11Z,13E)/2:0)
3D model of SFE 16:2(11Z,13E)/2:0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
JDEZPVDDXSKIMP-DEQVHDEQSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h4-7H,3,8-17H2,1-2H3/b5-4+,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\C=C\CC
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Herpetogramma licarsisalis
(#1209551)
Insecta
(#50557)
(11Z,13E)-Hexadecadien-1-yl acetate: sex pheromone of the grass webworm Herpetogramma licarsisalis-identification, synthesis, and field bioassays.,
J Chem Ecol, 2007
J Chem Ecol, 2007
Pubmed ID:
17334920
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
329.62
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.87
Molar Refractivity
87.25
Admin
Created at
-
Updated at
31st Jul 2023