Structure Database (LMSD)
Common Name
SFE 12:2(9E,11)/2:0
Systematic Name
9E,11-Dodecadienyl acetate
Synonyms
3D model of SFE 12:2(9E,11)/2:0
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rhyacionia frustrana
(#2680986)
Insecta
(#50557)
Nantucket pine tip moth,Rhyacionia frustrana: Identification of two sex pheromone components.,
J Chem Ecol, 1981
J Chem Ecol, 1981
Pubmed ID:
24420591
String Representations
InChiKey (Click to copy)
ARPQLVHCERGNAB-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C/C=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
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
9th Apr 2025