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CHEBI:87330 - 2-methylbutyl decanoate

ChEBI IDCHEBI:87330
ChEBI Name2-methylbutyl decanoate
Stars
DefinitionA decanoate ester obtained by the formal condensation of the carboxy group of decanoic acid (capric acid) with the alcoholic hydroxy group of 2-methylbutan-1-ol.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC15H30O2
Net Charge0
Average Mass242.403
Monoisotopic Mass242.22458
SMILESCCCCCCCCCC(=O)OCC(C)CC
InChIInChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3
InChIKeyJRJPVFOFQVUVLG-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-methylbutyl decanoate (CHEBI:87330) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl decanoate (CHEBI:87330) has role metabolite (CHEBI:25212)
2-methylbutyl decanoate (CHEBI:87330) is a decanoate ester (CHEBI:87658)
IUPAC Name 
2-methylbutyl decanoate
Registry NumbersSources
Reaxys:28168284Reaxys