Structure Database (LMSD)
Common Name
SFE 12:2(7Z,9E):2:0
Systematic Name
7Z,9E-Dodecadienyl acetate
Synonyms
- SFE(12:2(7Z,9E):2:0)
3D model of SFE 12:2(7Z,9E):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)
LLRZUAWETKPZJO-DEQVHDEQSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4+,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C\C=C\CC
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Idaea aversata
(#104447)
Insecta
(#50557)
Olefinic acetates, Δ-9,11-14: OAc and Δ-7,9-12: OAc used as sex pheromone components in three geometrid moths,Idaea aversata, I. straminata, andI. biselata (Geometridae, Lepidoptera).,
J Chem Ecol, 1996
J Chem Ecol, 1996
Pubmed ID:
24226252
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
260.42
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.31
Molar Refractivity
68.78
Admin
Created at
-
Updated at
7th Jul 2023