62599 <common-name>Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl ester</common-name> <description>Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl ester belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C14H22O2 and an average molecular weight of 222.33 g/mol.</description> <cas>67392-15-8;68928-82-5</cas> <pubchem-id>106713</pubchem-id> <chemical-formula>C14H22O2</chemical-formula> <weight>222.32</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">2026-03-31T22:36:26Z</created-at> <updated-at type="dateTime">2026-08-28T09:24:01Z</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>COC(=O)C1CC2(CCC1(C)C=C2)C(C)C</moldb-smiles> <moldb-formula>C14H22O2</moldb-formula> <moldb-inchi>InChI=1S/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3</moldb-inchi> <moldb-inchikey>NXAJZPARDMDLKH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">222.328</moldb-average-mass> <moldb-mono-mass type="decimal">222.16198</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>96048</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>CHEM058492</chemdb-id> <dsstox-id>DTXSID20867273</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012913</susdat-id> <iupac>methyl 1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0135481</sync-id> <structure-inchikey>NXAJZPARDMDLKH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002000000000000000000280000002000000000000400000000000001000001000000000000000000000000000000000000000000000000000000000000002000100040000000000000000000020000001000100000000000000000000001000010000000040000000000000000000020200000000200040000000100000000048000000000000000000000080200000000000000000000000100020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000021000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGAGAAAAADAQYAYAAAAAICBgAgAAAABAYAYAAA AAICBgBgAAAAAgIGACAAAAAEBgBgAAAAAQMGAGgAAAADAwEGAGgAAAADAwEG AGAAAAADAQYAYAAAAAEDBgBgAAAAAQMLAAEAAQIgAgMoAgIEAAQFAAUGAAYH AAcIAAgJAAkKAAkLAAsMCAIGDQANDgANDwAJBAAMBgBCAwAAAAYECQgHBgUG BAkLDAYFBgcICQsMBhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:37Z</structure-indexed-at> </compound>