Structure Database (LMSD)

Common Name
SFE 8:1(2E)/2:0
Systematic Name
2E-Octenyl acetate
Synonyms
  • SFE(8:1(2E)/2:0)
LM ID
LMFA07010188
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
SFE 10:1
Status
Active
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
Geocoris punctipes (#1468586)
Insecta (#50557)
Female-produced sex pheromone of the predatory bug Geocoris punctipes,
J Chem Ecol, 2000

String Representations

InChiKey (Click to copy)
MBRLTLPMVMFRTJ-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCC

Other Databases

CHEBI ID
180238
PubChem CID
5463875

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

Admin

Created at
-
Updated at
31st Jul 2023