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CHEBI:77929 - decan-2-one

ChEBI IDCHEBI:77929
ChEBI Namedecan-2-one
Stars
DefinitionA methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.
Last Modified23 October 2015
SubmitterTrudy
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILESCCCCCCCCC(C)=O
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKeyZAJNGDIORYACQU-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
decan-2-one (CHEBI:77929) has parent hydride decane (CHEBI:41808)
decan-2-one (CHEBI:77929) has role plant metabolite (CHEBI:76924)
decan-2-one (CHEBI:77929) is a methyl ketone (CHEBI:51867)
IUPAC Name 
decan-2-one
Synonyms  Source
Octyl methyl ketoneChEBI
2-DecanoneChEBI
Methyl octyl ketoneChEBI
Methyl n-octyl ketoneChEBI
n-C8H17COCH3NIST Chemistry WebBook
Manual XrefsDatabases
HMDB0031409HMDB
Registry NumbersSources
Reaxys:1747463Reaxys
CAS:693-54-9ChemIDplus
CAS:693-54-9NIST Chemistry WebBook
Citations