EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87386 - 2-decanyl propionate

ChEBI IDCHEBI:87386
ChEBI Name2-decanyl propionate
Stars
DefinitionA propanoate ester obtained by the formal condensation of propionic acid with decan-2-ol.
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCCC(C)OC(=O)CC
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-12(3)15-13(14)5-2/h12H,4-11H2,1-3H3
InChIKeyHJQHFVTZMYPNGS-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-decanyl propionate (CHEBI:87386) has role metabolite (CHEBI:25212)
2-decanyl propionate (CHEBI:87386) is a propanoate ester (CHEBI:36243)
IUPAC Name 
decan-2-yl propanoate