75531 <common-name>2,2'-Methylenebis(cyclohexane-1,3-dione)</common-name> <description>2,2'-Methylenebis(cyclohexane-1,3-dione) belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C13H16O4 and an average molecular weight of 236.27 g/mol.</description> <cas>54135-60-3</cas> <pubchem-id>2748618</pubchem-id> <chemical-formula>C13H16O4</chemical-formula> <weight nil="true"/> <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">2026-04-04T04:21:51Z</created-at> <updated-at type="dateTime">2026-04-04T04:21:51Z</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>O=C1CCCC(=O)C1CC1C(=O)CCCC1=O</moldb-smiles> <moldb-formula>C13H16O4</moldb-formula> <moldb-inchi>InChI=1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2</moldb-inchi> <moldb-inchikey>ILUMEPMGPCKGHH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.267</moldb-average-mass> <moldb-mono-mass type="decimal">236.104859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2030009</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>CHEM071424</chemdb-id> <dsstox-id>DTXSID50202476</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032966</susdat-id> <iupac>2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-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">0</paper-count> <sync-id>CED0076516</sync-id> <structure-inchikey>ILUMEPMGPCKGHH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000040020000000000000200000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000008000000020000000000000000000000100800000000041000000000000000000000000800000000000000000000100000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABCAAoAAAAAwIGACgAAAAD BAYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGAGAA AAADAQYAYAAAAAICBgBgAAAAAwEGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgsAAQgCAQIAAgMAAwQA BAUABQYIAgUHAAcIAAgJAAkKAAoLCAIKDAAMDQANDgAODwAPEAgCBwEADwkA QgIAAAAGAQcFBAMCBgoMDQ4PCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:47Z</structure-indexed-at> </compound>