OntologiesslmclassesCHEBI:87536   
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3-methylbutyl octanoateImported
http://purl.obolibrary.org/obo/CHEBI_87536

A fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.

Defined bychebi
Exact Synonyms
3-methylbutyl octanoate
Related Synonyms
isoamyl caprylate
isoamyl octanoate
isopentyl octanoate
octanoic acid isopentyl ester
class Information
charge

0

formula

C13H26O2

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

inchikey

XKWSWANXMRXDES-UHFFFAOYSA-N

in_subset

3_STAR

mass

214.34430

monoisotopicmass

214.19328

smiles

CCCCCCCC(=O)OCCC(C)C

class Relations