92530 <common-name>1-(3,5,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one</common-name> <description>1-(3,5,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C14H22O and an average molecular weight of 206.33 g/mol. It is further classified as part of the organic oxygen compounds superclass.</description> <cas>56974-03-9</cas> <pubchem-id>92607</pubchem-id> <chemical-formula>C14H22O</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">2026-04-05T01:38:01Z</created-at> <updated-at type="dateTime">2026-04-05T01:38:01Z</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>CC1CC(C)(C)CC(=C1)C(=O)CCC=C</moldb-smiles> <moldb-formula>C14H22O</moldb-formula> <moldb-inchi>InChI=1/C14H22O/c1-5-6-7-13(15)12-8-11(2)9-14(3,4)10-12/h5,8,11H,1,6-7,9-10H2,2-4H3</moldb-inchi> <moldb-inchikey>YSSPNGUMZKBWDM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.329</moldb-average-mass> <moldb-mono-mass type="decimal">206.1670653</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM088423</chemdb-id> <dsstox-id>DTXSID00972450</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053968</susdat-id> <iupac nil="true"/> <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>CED0125323</sync-id> <structure-inchikey>YSSPNGUMZKBWDM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000800000000000000000000000000000000008000000000004000000000000000000000000000000004000000000000000000000000000000000000000000000000000002000000020000001000200000000000000000000000000010000000000000200000000000002020008000000000000000000100000000048800040000000004200000000000000000000000000000000000022000000040000000000100200080000000000000000000000000100000000000000000008000000000000000000040000000000040000000000000000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBgAgAAAABAYAYAAAAAEDBgBgAAAAAQMGAGAAAAACAgYAKAAA AAMEBgBoAAAAAwMBBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIG AGgAAAADAwEGAGgAAAADAgILAAEAAQIAAgMAAwQAAwUAAwYABgcABwgoAgcJ IAkKKAIJCwALDAAMDQANDggCCAEAQgEAAAAGAQgHBgMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:36Z</structure-indexed-at> </compound>