Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:663 - 2-methylhexano-6-lactone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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
4175411
Beilstein Registry Number
Beilstein
Last Modified
30 January 2015