Structure Database (LMSD)
Common Name
SFE 18:2(3Z,13Z)/2:0
Systematic Name
3Z,13Z-Octadecadienyl acetate
Synonyms
- SFE(18:2(3Z,13Z)/2:0)
3D model of SFE 18:2(3Z,13Z)/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)
VVJPJXKHBZNADP-DNNFRFAMSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\CCCCCCCC/C=C\CCCC
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Nemapogon granella
(#1448907)
Insecta
(#50557)
Identification of the sex pheromone of the European grain moth Nemapogon granellus: (3Z,13Z)-3,13-octadecadienyl acetate.,
J Pesticide Sci, 1993
J Pesticide Sci, 1993
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
364.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.65
Molar Refractivity
96.48
Admin
Created at
-
Updated at
7th Jul 2023