Structure Database (LMSD)

Common Name
SFE 13:2(5Z,9E)/2:0
Systematic Name
5Z,9E-Tridecadienyl acetate
Synonyms
  • SFE(13:2(5Z,9E)/2:0)
LM ID
LMFA07010277
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)
Insect sex attractants. VII. 5,9-Tridecadien-1-ol acetates.,
J Med Chem, 1967
Pubmed ID: 6056062

String Representations

InChiKey (Click to copy)
FPIQRKOQQGYNLX-QMRMAQATSA-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/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/b6-5+,10-9-
SMILES (Click to copy)
O(C(=O)C)CCCC/C=C\CC/C=C/CCC

Other Databases

PubChem CID
44256538

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