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CHEBI:179389 - Isopropyl octanoate

ChEBI IDCHEBI:179389
ChEBI NameIsopropyl octanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChIKeyWCGIIHOFOFCKSM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropyl octanoate (CHEBI:179389) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
propan-2-yl octanoate
Manual XrefsDatabases
20306ChemSpider
LMFA07010653LIPID MAPS
Registry NumbersSources
CAS:5458-59-3ChemIDplus