Structure Database (LMSD)

Common Name
SFE 13:2(7Z,11Z)/2:0
Systematic Name
7Z,11Z-Tridecadienyl acetate
Synonyms
  • SFE(13:2(7Z,11Z)/2:0)
LM ID
LMFA07010279
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
Sum Composition
SFE 15:2
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
synthetic construct (#32630)
A potent sex attractant for the potato tuberworm moth,
J Econ Entomol, 1975

String Representations

InChiKey (Click to copy)
NHWLOHOBCVRYFC-KPDBFRNYSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4,7-8H,5-6,9-14H2,1-2H3/b4-3-,8-7-
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C\CC/C=C\C

Other Databases

PubChem CID
6436641

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.70
Molar Refractivity 73.40

Admin

Created at
-
Updated at
7th Jul 2023