98478 <common-name>6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-one</common-name> <description>6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-one belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the formula C14H22O and an average molecular weight of 206.33 g/mol.</description> <cas nil="true"/> <pubchem-id>109423</pubchem-id> <chemical-formula>C14H22O</chemical-formula> <weight>206.32</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">2026-04-05T06:08:40Z</created-at> <updated-at type="dateTime">2026-08-19T07:26:14Z</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>CCC(=O)CC=CC1CC=C(C)C1(C)C</moldb-smiles> <moldb-formula>C14H22O</moldb-formula> <moldb-inchi>InChI=1/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12H,5,8,10H2,1-4H3</moldb-inchi> <moldb-inchikey>YZZSBPWKVIUTHA-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>3</logp> <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>CHEM094371</chemdb-id> <dsstox-id>DTXSID80887417</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061033</susdat-id> <iupac>(E)-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0153989</sync-id> <structure-inchikey>YZZSBPWKVIUTHA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000080000000000000000000000000200000000000000000000000000000000000000000000000000020000000000000100a000000200000000000020000000000200000000000000000000000000010000014000000000002800200000020000000000000000000000100000000048000001000200000000000000000000000000000018400000000020000000000000000000080000080000000000008400000000000000000000000000000000000000000000000000000000000000000000002000000000000004000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAaAAAAAMDAQYAaAAAAAMDAQYA YAAAAAMBBgBgAAAAAgIGAGgAAAADAwEGACgAAAADBAYAYAAAAAEDBgAgAAAA BAYAYAAAAAEDBgBgAAAAAQMLAAEAAQIAAgMIAgIEAAQFAAUGCAIGBwAHCAAI CQAJCggCCgsACgwADA0ADA4ADAcAQgEAAAAFBwgJCgwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:13Z</structure-indexed-at> </compound>