Structure Database (LMSD)

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

Classification

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

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

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

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