EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189087 - 3,3,4,4-tetramethyl-2-pentanone

ChEBI IDCHEBI:189087
ChEBI Name3,3,4,4-tetramethyl-2-pentanone
Stars
DefinitionA methylketone that is pentan-2-one substituted by methyl groups at positions 3, 3, 4 and 4.
Last Modified21 January 2022
Submittermwilliams
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h1-6H3
InChIKeyVVCKMVBQLNBXOE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,3,4,4-tetramethyl-2-pentanone (CHEBI:189087) is a methyl ketone (CHEBI:51867)
IUPAC Name 
3,3,4,4-tetramethylpentan-2-one
Manual XrefsDatabases
120428ChemSpider
Registry NumbersSources
CAS:865-66-7ChemIDplus
CAS:865-66-7NIST Chemistry WebBook