Structure Database (LMSD)
Common Name
WE 6:1(3Z)/6:0
Systematic Name
(Z)-3-Hexenyl hexanoate
Synonyms
- WE(6:1(3Z)/6:0)
3D model of WE 6:1(3Z)/6:0
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
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Brassica oleracea var. gemmifera
(#178616)
Magnoliopsida
(#3398)
Induction of parasitoid attracting synomone in brussels sprouts plants by feeding ofPieris brassicae larvae: Role of mechanical damage and herbivore elicitor.,
J Chem Ecol, 1994
J Chem Ecol, 1994
Pubmed ID:
24242803
String Representations
InChiKey (Click to copy)
RGACQXBDYBCJCY-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
SMILES (Click to copy)
O=C(CCCCC)OCC/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.75
Molar Refractivity
59.64
Admin
Created at
-
Updated at
14th Jan 2025