Structure Database (LMSD)

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oxyplax pallivitta (#2083213)
Insecta (#50557)
n-Butyl (E)-7,9-decadienoate: Sex pheromone component of the nettle caterpillar, Darna pallivitta,
Entomol Exp Appl, 2007

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

Other Databases

CHEBI ID
195912
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

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Created at
-
Updated at
19th Feb 2025