Structure Database (LMSD)

Common Name
SFE 1:0/10:2(2E,4E)
Systematic Name
Methyl 2E,4E-decadienoate
Synonyms
  • WE(1:0/10:2(2E,4E))
LM ID
LMFA07010478
Formula
C11H18O2
Exact Mass
Calculate m/z
182.13068
Sum Composition
SFE 11:2
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
Euschistus obscurus (#1513910)
Insecta (#50557)
Identification of male-specific volatiles from nearctic and neotropical stink bugs (Heteroptera: Pentatomidae).,
J Chem Ecol, 1994
Pubmed ID: 24242307

String Representations

InChiKey (Click to copy)
SFHSEXGIVSBRRK-XBLVEGMJSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
SMILES (Click to copy)
O=C(/C=C/C=C/CCCCC)OC

Other Databases

CHEBI ID
195888
PubChem CID
5463485

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 208.52
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.85
Molar Refractivity 54.44

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Created at
-
Updated at
11th Jun 2025