Structure Database (LMSD)
Common Name
SFE 12:2(9Z,11)/2:0
Systematic Name
9Z,11-Dodecadienyl acetate
Synonyms
- SFE(12:2(9Z,11)/2:0)
3D model of SFE 12:2(9Z,11)/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)
ARPQLVHCERGNAB-PLNGDYQASA-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
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sparganothis directana
(#691602)
Insecta
(#50557)
Sex pheromone of the chokecherry leafroller moth, Sparganothis directana,
J Chem Ecol, 1980
J Chem Ecol, 1980
DOI:
10.1007/BF01402925
Other Databases
PubChem CID
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
10th Jul 2023