5-Methyl-3E-hexen-2-one (CHEBI:195655)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-Methyl-3E-hexen-2-one

ChEBI ID	CHEBI:195655

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O

Net Charge

Average Mass

112.172

Monoisotopic Mass

112.08882

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+

InChIKey

IYMKNYVCXUEFJE-SNAWJCMRSA-N

SMILES

O=C(\C=C\C(C)C)C

ChEBI Ontology
Outgoing	5-Methyl-3E-hexen-2-one (CHEBI:195655) is a enone (CHEBI:51689)

IUPAC Name

(E)-5-methylhex-3-en-2-one