EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195509 - 3,5-dimethylcyclohexanone

Default Structure
ChEBI IDCHEBI:195509
ChEBI Name3,5-dimethylcyclohexanone
Stars
DefinitionA member of the class of cyclohexanones that is cyclohexanone substituted by methyl groups at positions 3 and 5.
Last Modified15 August 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC1CC(=O)CC(C)C1
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3
InChIKeyMSANHHHQJYQEOK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylcyclohexanone (CHEBI:195509) is a cyclohexanones (CHEBI:23482)
IUPAC Name 
3,5-dimethylcyclohexanone
Synonym  Source
3,5-dimethylcyclohexan-1-oneIUPAC
UniProt Name  Source
3,5-dimethylcyclohexanoneUniProt
Registry NumbersSources
Reaxys:1904560Reaxys
CAS:2320-30-1NIST Chemistry WebBook
Citations