10461 <common-name>Cycloocta-1,5-diene</common-name> <description nil="true"/> <cas>111-78-4</cas> <pubchem-id>82916</pubchem-id> <chemical-formula>C8H12</chemical-formula> <weight>108.18</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">2016-05-19T03:03:29Z</created-at> <updated-at type="dateTime">2026-08-24T12:55:27Z</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>[H]\C1=C([H])\CC\C([H])=C([H])/CC1</moldb-smiles> <moldb-formula>C8H12</moldb-formula> <moldb-inchi>InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-</moldb-inchi> <moldb-inchikey>VYXHVRARDIDEHS-QGTKBVGQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">108.184</moldb-average-mass> <moldb-mono-mass type="decimal">108.093900386</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74815</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>CHEM009356</chemdb-id> <dsstox-id>DTXSID0026888</dsstox-id> <toxcast-id>26888</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008025</susdat-id> <iupac>(1Z,5Z)-cycloocta-1,5-diene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>39.041199999999996</moldb-refractivity> <moldb-polarizability>13.286804156820347</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.58</moldb-alogps-logp> <moldb-alogps-logs>-3.27</moldb-alogps-logs> <moldb-alogps-solubility>5.82e-02 g/l</moldb-alogps-solubility> </compound>