Structure Database (LMSD)

Common Name
SFE 8:2(2E,7)/2:0
Systematic Name
2E,7-Octadienyl acetate
Synonyms
  • SFE(8:2(2E,7)/2:0)
LM ID
LMFA07010187
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
SFE 10:2
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
Phytocoris (#237092)
Insecta (#50557)
Pheromones of milkweed bugs (Heteroptera: Lygaeidae) attract wayward plant bugs: Phytocoris mirid sex pheromone.,
J Chem Ecol, 2003
Pubmed ID: 12956510

String Representations

InChiKey (Click to copy)
RDOHPVPONNHSPH-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCC=C

Other Databases

CHEBI ID
195796
PubChem CID
5363376

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.75
Molar Refractivity 50.31

Admin

Created at
-
Updated at
31st Jul 2023