Structure Database (LMSD)
Common Name
SFE 14:2(9E,11Z)/2:0
Systematic Name
9E,11Z-Tetradecadienyl acetate
Synonyms
3D model of SFE 14:2(9E,11Z)/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
Geometridae
(#82593)
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
DOI:
10.1007/BF02027728
String Representations
InChiKey (Click to copy)
RFEQLTBBKNKGGJ-SCFJQAPRSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4-,7-6+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C/C=C\CC
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
5.09
Molar Refractivity
78.01
Admin
Created at
-
Updated at
28th Feb 2025