12441 <common-name>Poly(oxy-1,2-ethanediyl), .alpha.-(4-nonylphenyl)-.omega.-hydroxy-</common-name> <description nil="true"/> <cas>26027-38-3</cas> <pubchem-id>72385</pubchem-id> <chemical-formula>C33H60O10</chemical-formula> <weight>616.8</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">2016-05-19T03:37:06Z</created-at> <updated-at type="dateTime">2026-05-14T18:25:23Z</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>DB06804</drugbank-id> <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>CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1</moldb-smiles> <moldb-formula>C33H60O10</moldb-formula> <moldb-inchi>InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3</moldb-inchi> <moldb-inchikey>FBWNMEQMRUMQSO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">616.8235</moldb-average-mass> <moldb-mono-mass type="decimal">616.41864814</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.82</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>65319</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>CHEM011336</chemdb-id> <dsstox-id>DTXSID00858720</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00000331</stoff-ident-id> <susdat-id>NS00005778</susdat-id> <iupac>26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol</iupac> <moldb-polar-surface-area>103.30000000000003</moldb-polar-surface-area> <moldb-refractivity>169.01069999999999</moldb-refractivity> <moldb-polarizability>77.06672800698095</moldb-polarizability> <moldb-rotatable-bond-count>35</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.121155523152112</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.7458065741732653</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.49</moldb-alogps-logp> <moldb-alogps-logs>-6.46</moldb-alogps-logs> <moldb-alogps-solubility>2.14e-04 g/l</moldb-alogps-solubility> </compound>