CHEBI:87330 - 2-methylbutyl decanoate

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ChEBI Name 2-methylbutyl decanoate
ChEBI ID CHEBI:87330
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H30O2
Net Charge 0
Average Mass 242.398
Monoisotopic Mass 242.22458
InChI InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3
InChIKey JRJPVFOFQVUVLG-UHFFFAOYSA-N
SMILES O(CC(C)CC)C(CCCCCCCCC)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
28168284 Reaxys Registry Number Reaxys
Last Modified
03 September 2015