74793 <common-name>1,3,3-Trimethylcyclohexene</common-name> <description>1,3,3-Trimethylcyclohexene belongs to the branched unsaturated hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. It has the formula C9H16 and an average molecular weight of 124.23 g/mol.</description> <cas>503-47-9</cas> <pubchem-id>3013896</pubchem-id> <chemical-formula>C9H16</chemical-formula> <weight>124.22</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">2026-04-04T02:21:14Z</created-at> <updated-at type="dateTime">2026-08-25T13:26:25Z</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>CC1=CC(C)(C)CCC1</moldb-smiles> <moldb-formula>C9H16</moldb-formula> <moldb-inchi>InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h7H,4-6H2,1-3H3</moldb-inchi> <moldb-inchikey>FFIDVTCKFVYQCZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">124.227</moldb-average-mass> <moldb-mono-mass type="decimal">124.125201</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2282466</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>CHEM070686</chemdb-id> <dsstox-id>DTXSID30198303</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032040</susdat-id> <iupac>1,3,3-trimethylcyclohexene</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>Hydrocarbons</superklass> <klass>Unsaturated hydrocarbons</klass> <subklass>Branched unsaturated hydrocarbons</subklass> <paper-count type="integer">7</paper-count> <sync-id>CED0038248</sync-id> <structure-inchikey>FFIDVTCKFVYQCZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000800000008000000000000000000000000000000000000000000000000000000000000020000000000000000000000000800000048000000000000000000000000200000000000000000000002000020002000000000000000000000080000000000000000000000010000000000000000000000000000000000000000000000000000000000002000200000000000000000000000000200000040000000000000000000000000100000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������(�������h�������� ������`�������`�������`�������`�������`����������������������������������B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:13Z</structure-indexed-at> </compound>