4-Methylhexan-2-one (CHEBI:195745)

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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	4-Methylhexan-2-one

ChEBI ID	CHEBI:195745

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H14O

Net Charge

Average Mass

114.188

Monoisotopic Mass

114.10447

InChI

InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3

InChIKey

XUPXMIAWKPTZLZ-UHFFFAOYSA-N

SMILES

O=C(CC(CC)C)C

ChEBI Ontology
Outgoing	4-Methylhexan-2-one (CHEBI:195745) is a ketone (CHEBI:17087)

IUPAC Name

4-methylhexan-2-one