Structure Database (LMSD)
Common Name
SFE 16:1(7Z)/2:0
Systematic Name
7Z-Hexadecenyl acetate
Synonyms
- Hexalure
3D model of SFE 16:1(7Z)/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
synthetic construct
(#32630)
Hexalure, an insect sex attractant discovered by empirical screening.,
Experientia, 1969
Experientia, 1969
Pubmed ID:
5801774
Bracon cephi
(#2572178)
Insecta
(#50557)
Acetate esters of saturated and unsaturated alcohols (C12-C20) are major components in Dufour glands of Bracon cephi and Bracon lissogaster (Hymenoptera: Braconidae), parasitoids of the wheat stem sawfly, Cephus cinctus (Hymenoptera: Cephidae),
Biochem Syst Ecol, 2005
Biochem Syst Ecol, 2005
String Representations
InChiKey (Click to copy)
QVXFGVVYTKZLJN-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3/b11-10-
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C\CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
332.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.09
Molar Refractivity
87.34
Admin
Created at
-
Updated at
28th Jan 2025