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CHEBI:188365 - cyclohexanone, 4-(1,1-dimethylethyl)-

ChEBI IDCHEBI:188365
ChEBI Namecyclohexanone, 4-(1,1-dimethylethyl)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC(C)(C)C1CCC(=O)CC1
InChIInChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChIKeyYKFKEYKJGVSEIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS3201)
ChEBI Ontology
Outgoing Relation(s)
cyclohexanone, 4-(1,1-dimethylethyl)- (CHEBI:188365) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
4-tert-butylcyclohexan-1-one
Manual XrefsDatabases
HMDB0059869HMDB
7114ChemSpider
Registry NumbersSources
CAS:98-53-3ChemIDplus