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CHEBI:663 - 2-methylhexano-6-lactone

ChEBI IDCHEBI:663
ChEBI Name2-methylhexano-6-lactone
Stars
DefinitionA ε-lactone that is hexano-6-lactone substituted by a methyl group at position 3.
Last Modified30 January 2015
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCC1CCCCOC1=O
InChIInChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3
InChIKeyIYBOGQYZTIIPNI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methylhexano-6-lactone (CHEBI:663) has functional parent hexano-6-lactone (CHEBI:17915)
2-methylhexano-6-lactone (CHEBI:663) has parent hydride oxepane (CHEBI:49106)
2-methylhexano-6-lactone (CHEBI:663) is a ε-lactone (CHEBI:50239)
IUPAC Name 
3-methyloxepan-2-one
Synonym  Source
1-Oxa-2-oxo-3-methylcycloheptaneKEGG COMPOUND
Manual XrefsDatabases
C10976KEGG COMPOUND
Registry NumbersSources
Reaxys:4175411Reaxys
CAS:2549-61-3KEGG COMPOUND