Structure Database (LMSD)

O O
Common Name
Ethyl (E)-7,9-decadienoate
Systematic Name
Ethyl (E)-7,9-decadienoate
Synonyms
  • WE(2:0/10:2(7E,9E))
LM ID
LMFA07010563
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
SFE 12:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
SLYLYHJYVPCWAP-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3,5-6H,1,4,7-11H2,2H3/b6-5+
SMILES (Click to copy)
O=C(CCCCC/C=C/C=C)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
15252700

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.55

Admin

Created at
-
Updated at
6th Jun 2022