3,5,5-Trimethyl-1,2-cyclopentanedione (CHEBI:195723)

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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	3,5,5-Trimethyl-1,2-cyclopentanedione

ChEBI ID	CHEBI:195723

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O2

Net Charge

Average Mass

140.182

Monoisotopic Mass

140.08373

InChI

InChI=1S/C8H12O2/c1-5-4-8(2,3)7(10)6(5)9/h5H,4H2,1-3H3

InChIKey

GGXVKCBZJYLSCZ-UHFFFAOYSA-N

SMILES

O=C1C(CC(C1=O)C)(C)C

ChEBI Ontology
Outgoing	3,5,5-Trimethyl-1,2-cyclopentanedione (CHEBI:195723) is a cyclic ketone (CHEBI:3992)

IUPAC Name

3,3,5-trimethylcyclopentane-1,2-dione