20489 <common-name>(2E,6Z)-1,1-diethoxynona-2,6-diene</common-name> <description nil="true"/> <cas>67674-36-6</cas> <pubchem-id>6364671</pubchem-id> <chemical-formula>C13H24O2</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">2016-05-22T06:04:00Z</created-at> <updated-at type="dateTime">2026-04-06T04:32:16Z</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]\C(CC)=C(/[H])CC\C([H])=C(/[H])C(OCC)OCC</moldb-smiles> <moldb-formula>C13H24O2</moldb-formula> <moldb-inchi>InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3/b8-7-,12-11+</moldb-inchi> <moldb-inchikey>GCIRJCKOUVCUBZ-OFALOCIGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.333</moldb-average-mass> <moldb-mono-mass type="decimal">212.177630013</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>CHEM019384</chemdb-id> <dsstox-id>DTXSID0047034</dsstox-id> <toxcast-id>47034</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00100385</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>67.24860000000001</moldb-refractivity> <moldb-polarizability>26.705972155433603</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.038960870532635</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.58</moldb-alogps-logp> <moldb-alogps-logs>-4.37</moldb-alogps-logs> <moldb-alogps-solubility>9.14e-03 g/l</moldb-alogps-solubility> </compound>