Structure Database (LMSD)

Common Name
SFE 12:2(9Z,11)/2:0
Systematic Name
9Z,11-Dodecadienyl acetate
Synonyms
  • SFE(12:2(9Z,11)/2:0)
LM ID
LMFA07010246
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
SFE 14:2
Status
Curated
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
Sparganothis directana (#691602)
Insecta (#50557)
Sex pheromone of the chokecherry leafroller moth, Sparganothis directana,
J Chem Ecol, 1980

String Representations

InChiKey (Click to copy)
ARPQLVHCERGNAB-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C\C=C

Other Databases

CHEBI ID
196031
PubChem CID
5365606

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.31
Molar Refractivity 68.78

Admin

Created at
-
Updated at
10th Jul 2023