6243 <common-name>CIS- AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE</common-name> <description nil="true"/> <cas>18433-93-7</cas> <pubchem-id>86733</pubchem-id> <chemical-formula>C8H16O2</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">2016-05-19T01:58:31Z</created-at> <updated-at type="dateTime">2026-04-05T00:36:59Z</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>CC(C)CC1OCC(C)O1</moldb-smiles> <moldb-formula>C8H16O2</moldb-formula> <moldb-inchi>InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3</moldb-inchi> <moldb-inchikey>PDVLTWPJDBXATJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">144.2114</moldb-average-mass> <moldb-mono-mass type="decimal">144.115029756</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>CHEM005138</chemdb-id> <dsstox-id>DTXSID50864836</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052190</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>39.77600000000001</moldb-refractivity> <moldb-polarizability>17.064802230203373</moldb-polarizability> <moldb-rotatable-bond-count>2</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>-4.042952253275195</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.84</moldb-alogps-logp> <moldb-alogps-logs>-1.33</moldb-alogps-logs> <moldb-alogps-solubility>6.80e+00 g/l</moldb-alogps-solubility> </compound>