Structure Database (LMSD)

Common Name
SFE 10:2(3Z,5E)/2:0
Systematic Name
3Z,5E-Decadienyl acetate
Synonyms
  • WE 10:2(3Z,5E)/2:0
LM ID
LMFA07010211
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
SFE 12:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anarsia lineatella (#1101080)
Insecta (#50557)
Reexamination of the female sex pheromone of the peach twig borer: field screening of minor constituents of pheromone gland extracts and of pheromone analogs,
J Econ Entomol, 1992

String Representations

InChiKey (Click to copy)
BBALEUFMAFGKSL-MUIOLIGRSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-9H,3-5,10-11H2,1-2H3/b7-6+,9-8-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\C=C\CCCC

Other Databases

CHEBI ID
195908
PubChem CID
44256527

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.54

Admin

Created at
-
Updated at
7th Jul 2023