Structure Database (LMSD)

Common Name
ethyl 2E,4Z-decadienoate
Systematic Name
ethyl 2E,4Z-decadienoate
Synonyms
  • WE(2:0/10:2(2E,4Z))
  • pear ester
LM ID
LMFA07010480
Status
Active
Exact Mass
Calculate m/z
196.14633
Formula
Abbrev



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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
OPCRGEVPIBLWAY-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
SMILES (Click to copy)
O=C(/C=C/C=C\CCCCC)OCC

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pyrus communis (#23211)
Magnoliopsida (#3398)
Attractants from Bartlett pear for codling moth, Cydia pomonella (L.), larvae.,
Naturwissenschaften, 2001
Pubmed ID: 11572015

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
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 59.54

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Created at
-
Updated at
20th Jul 2021