EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179380 - Hexyl 3-methylbutanoate

ChEBI IDCHEBI:179380
ChEBI NameHexyl 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCOC(=O)CC(C)C
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyRSDDTPVXLMVLQE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Hexyl 3-methylbutanoate (CHEBI:179380) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
hexyl 3-methylbutanoate
Manual XrefsDatabases
55377ChemSpider
HMDB0032044HMDB
LMFA07010908LIPID MAPS
Registry NumbersSources
CAS:10032-13-0ChemIDplus