63442 <common-name>2-Methylcyclohexane-1,3-dione</common-name> <description>2-Methylcyclohexane-1,3-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C7H10O2 and an average molecular weight of 126.16 g/mol.</description> <cas>1193-55-1</cas> <pubchem-id>70945</pubchem-id> <chemical-formula>C7H10O2</chemical-formula> <weight>126.15</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T00:27:50Z</created-at> <updated-at type="dateTime">2026-08-23T17:26:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1C(=O)CCCC1=O</moldb-smiles> <moldb-formula>C7H10O2</moldb-formula> <moldb-inchi>InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3</moldb-inchi> <moldb-inchikey>VSGJHHIAMHUZKF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">126.155</moldb-average-mass> <moldb-mono-mass type="decimal">126.06808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>64107</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM059335</chemdb-id> <dsstox-id>DTXSID90152406</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015083</susdat-id> <iupac>2-methylcyclohexane-1,3-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">12</paper-count> <sync-id>CED0034137</sync-id> <structure-inchikey>VSGJHHIAMHUZKF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000040000200000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000048000000020000000000000000000000100800000040001000000000000000000000000000000000000000000000000000000000040000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000400000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������(�������(�������`�������`�������`�������(�������(�����������������������������������B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:15Z</structure-indexed-at> </compound>