Structure Database (LMSD)
Common Name
ethyl 2E,4Z-decadienoate
Systematic Name
ethyl 2E,4Z-decadienoate
Synonyms
- WE(2:0/10:2(2E,4Z))
- pear ester
3D model of ethyl 2E,4Z-decadienoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
2(E),4(Z)-Decadienoic acid ethyl ester is a volatile compound that has been found in pears and has kairomonal attractant activity.1 2(E),4(Z)-Decadienoic acid ethyl ester attracts male and female codling moths (C. pomonella), an apple, pear, and walnut pest, to traps placed in orchards when applied at a concentration of 40 mg/trap. It also attracts C. splendana males and females, as well as P. fasciana males.
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
OPCRGEVPIBLWAY-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
SMILES (Click to copy)
O=C(/C=C/C=C\CCCCC)OCC
Other Databases
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
59.54
Admin
Created at
-
Updated at
6th Jun 2022