Structure Database (LMSD)
Common Name
SFE 12:1(3E)/2:0
Systematic Name
3E-Dodecenyl acetate
Synonyms
- SFE(12:1(3E)/2:0)
3D model of SFE 12:1(3E)/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)
NLVAHXQJCLXFGL-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/CCCCCCCC
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Scrobipalpopsis
(#1241366)
Insecta
(#50557)
Identification of components of the female sex pheromone of the potato tuber moth, Scrobipalpopsis solanivora.,
Entomol Exp Appl, 1985
Entomol Exp Appl, 1985
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.53
Molar Refractivity
68.87
Admin
Created at
-
Updated at
11th Jul 2023