Structure Database (LMSD)

O O
Common Name
SFE 12:1(7E)/2:0
Systematic Name
7E-Dodecenyl acetate
Synonyms
  • SFE(12:1(7E)/2:0)
LM ID
LMFA07010226
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
SFE 14:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
MUZGQHWTRUVFLG-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C/CCCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Spodoptera frugiperda (#7108)
Insecta (#50557)
Isolation, identification, synthesis, and field evaluation of the sex pheromone of the Brazilian population of Spodoptera frugiperda.,
J Chem Ecol, 2006
Pubmed ID: 16739025

Other Databases

CHEBI ID
179342
PubChem CID
5352789

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.53
Molar Refractivity 68.87

Admin

Created at
-
Updated at
15th Aug 2023