CHEBI:663 - 2-methylhexano-6-lactone

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ChEBI Name 2-methylhexano-6-lactone
ChEBI ID CHEBI:663
Definition A ε-lactone that is hexano-6-lactone substituted by a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H12O2
Net Charge 0
Average Mass 128.16898
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3
InChIKey IYBOGQYZTIIPNI-UHFFFAOYSA-N
SMILES CC1CCCCOC1=O
ChEBI Ontology
Outgoing 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-methylcycloheptane KEGG COMPOUND
Manual Xref Database
C10976 KEGG COMPOUND
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Registry Numbers Types Sources
2549-61-3 CAS Registry Number KEGG COMPOUND
4175411 Reaxys Registry Number Reaxys
4175411 Beilstein Registry Number Beilstein
Last Modified
30 January 2015