Structure Database (LMSD)
Common Name
SFE 13:2(9Z,12)(11Me)/2:0
Systematic Name
11-Methyl-9Z,12-tridecadienyl acetate
Synonyms
- SFE(13:2(9Z,12)(11Me)/2:0)
3D model of SFE 13:2(9Z,12)(11Me)/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)
ASUUBOCEHJFFRV-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-18-16(3)17/h4,11,13,15H,1,5-10,12,14H2,2-3H3/b13-11-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C\C(C)C=C
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
A New Synergist, 11-Methyl-cis-9, 12-Tridecadienyl Acetate, for the Smaller Tea Tortrix Sex Attractant,
Appl Entolom Zool, 1979
Appl Entolom Zool, 1979
DOI:
10.1303/aez.14.478
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
295.02
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.94
Molar Refractivity
77.94
Admin
Created at
-
Updated at
7th Jul 2023