CHEBI:197349 - 3,3-dimethylbutan-2-one

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ChEBI Name 3,3-dimethylbutan-2-one ChEBI ID CHEBI:197349 Definition A methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C6H12O Net Charge 0 Average Mass 100.161 Monoisotopic Mass 100.08882 InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N SMILES CC(=O)C(C)(C)C ChEBI Ontology Outgoing 3,3-dimethylbutan-2-one (CHEBI:197349) is a dialkyl ketone (CHEBI:18044) 3,3-dimethylbutan-2-one (CHEBI:197349) is a methyl ketone (CHEBI:51867) IUPAC Name 3,3-dimethylbutan-2-one Synonyms Sources 1,1,1-trimethylacetone NIST Chemistry WebBook 1,1-dimethylethyl methyl ketone NIST Chemistry WebBook 2,2-dimethyl-3-butanone NIST Chemistry WebBook 3,3-dimethyl-2-butanone NIST Chemistry WebBook 3,3-dimethylbutan-2-one UniProt α,α,α--trimethylacetone ChEBI methyl tert-butyl ketone NIST Chemistry WebBook methyl-t-butylketone ChEBI pinacolin NIST Chemistry WebBook pinacoline NIST Chemistry WebBook pinacolone NIST Chemistry WebBook tert-butyl methyl ketone NIST Chemistry WebBook Manual Xrefs Databases CN101289376 Patent Pinacolone Wikipedia View more database links Registry Numbers Types Sources 1209331 Reaxys Registry Number Reaxys 75-97-8 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 23202268 PubMed citation Europe PMC 28169536 PubMed citation Europe PMC 33356275 PubMed citation Europe PMC 36080238 PubMed citation Europe PMC 36964310 PubMed citation Europe PMC 6313922 PubMed citation Europe PMC Last Modified 27 September 2023