Structure Database (LMSD)
Common Name
SFE 8:2(2E,7)/2:0
Systematic Name
2E,7-Octadienyl acetate
Synonyms
- SFE(8:2(2E,7)/2:0)
3D model of SFE 8:2(2E,7)/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)
RDOHPVPONNHSPH-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCC=C
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Phytocoris
(#237092)
Insecta
(#50557)
Pheromones of milkweed bugs (Heteroptera: Lygaeidae) attract wayward plant bugs: Phytocoris mirid sex pheromone.,
J Chem Ecol, 2003
J Chem Ecol, 2003
Pubmed ID:
12956510
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.75
Molar Refractivity
50.31
Admin
Created at
-
Updated at
31st Jul 2023