CHEBI:87595 - 1-isopropoxyacetone

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ChEBI Name 1-isopropoxyacetone
ChEBI ID CHEBI:87595
Definition A methyl ketone that is acetone substituted by an isopropoxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3
InChIKey SICINPWJIHTHON-UHFFFAOYSA-N
SMILES CC(C)OCC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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-propanone ChEBI
Registry Number Type Source
1699876 Reaxys Registry Number Reaxys
Last Modified
20 August 2015