Structure Database (LMSD)

O O
Common Name
SFE 12:1(3E)/2:0
Systematic Name
3E-Dodecenyl acetate
Synonyms
  • SFE(12:1(3E)/2:0)
LM ID
LMFA07010223
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)
NLVAHXQJCLXFGL-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/CCCCCCCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Scrobipalpopsis (#1241366)
Insecta (#50557)
Identification of components of the female sex pheromone of the potato tuber moth, Scrobipalpopsis solanivora.,
Entomol Exp Appl, 1985

Other Databases

CHEBI ID
179345
PubChem CID
5352883

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
11th Jul 2023