EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179885 - 5-Methylhexyl acetate

ChEBI IDCHEBI:179885
ChEBI Name5-Methylhexyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCC(=O)OCCCCC(C)C
InChIInChI=1S/C9H18O2/c1-8(2)6-4-5-7-11-9(3)10/h8H,4-7H2,1-3H3
InChIKeyOOYBITFWBADNKC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-Methylhexyl acetate (CHEBI:179885) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
5-methylhexyl acetate
Manual XrefsDatabases
11220157ChemSpider
HMDB0032406HMDB
Registry NumbersSources
CAS:72246-17-4ChemIDplus