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CHEBI:87595 - 1-isopropoxyacetone

ChEBI IDCHEBI:87595
ChEBI Name1-isopropoxyacetone
Stars
DefinitionA methyl ketone that is acetone substituted by an isopropoxy group at position 1.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(=O)COC(C)C
InChIInChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3
InChIKeySICINPWJIHTHON-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-isopropoxyacetone (CHEBI:87595) has role metabolite (CHEBI:25212)
1-isopropoxyacetone (CHEBI:87595) is a ether (CHEBI:25698)
1-isopropoxyacetone (CHEBI:87595) is a methyl ketone (CHEBI:51867)
IUPAC Name 
1-[(propan-2-yl)oxy]propan-2-one
Synonym  Source
1-(1-methylethoxy)-2-propanoneChEBI
Registry NumbersSources
Reaxys:1699876Reaxys