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CHEBI:663 - 2-methylhexano-6-lactone
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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
View more database links
Registry Numbers
Types
Sources
2549-61-3
CAS Registry Number
KEGG COMPOUND
4175411
Reaxys Registry Number
Reaxys
Last Modified
30 January 2015