Structure Database (LMSD)

O O
Common Name
SFE 11:1(2E)/2:0
Systematic Name
2-Undecenyl acetate
Synonyms
  • SFE(11:1(2E)/2:0)
LM ID
LMFA07010219
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
SFE 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WITKTXDMHHYCJB-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCCCCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polistes dominula (#743375)
Insecta (#50557)
Volatiles from the venom of five species of paper wasps (Polistes dominulus, P. gallicus, P. nimphus, P. sulcifer and P. olivaceus).,
Toxicon, 2006
Pubmed ID: 16698055

Other Databases

PubChem CID
5363202

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.14
Molar Refractivity 64.26

Admin

Created at
-
Updated at
7th Jul 2023