Structure Database (LMSD)

O O
Common Name
SFE 8:2(2E,4E)/2:0
Systematic Name
2E,4E-Octadienyl acetate
Synonyms
  • SFE(8:2(2E,4E)/2:0)
LM ID
LMFA07010191
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
SFE 10:2
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)
YAXSGIATFVJGNN-BSWSSELBSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h5-8H,3-4,9H2,1-2H3/b6-5+,8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/C=C/CCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oncopeltus fasciatus (#7536)
Insecta (#50557)
Chemical expression of a sexual dimorphism in the tubular scent glands of the milkweed bug, Oncopeltus fasciatus (Dallas),
Experientia, 1973

Other Databases

PubChem CID
5363495

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
10th Jul 2023