Structure Database (LMSD)

Common Name
SFE 8:2(2E,6E)/2:0
Systematic Name
2E,6E-Octadienyl acetate
Synonyms
LM ID
LMFA07010192
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
Oncopeltus (#7535)
Insecta (#50557)
Pheromones and colonization: reassessment of the milkweed bug migration model (Heteroptera: Lygaeidae: Lygaeinae),
Chemoecology, 1999

String Representations

InChiKey (Click to copy)
SEUIMDDDOLIIGD-DYWGDJMRSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-4,7-8H,5-6,9H2,1-2H3/b4-3+,8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CC/C=C/C

Other Databases

CHEBI ID
195794
PubChem CID
6366076

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
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
6th Jan 2025