<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20299</id>
  <title nil="true"/>
  <common-name>Polyethylene glycol (20) hexadecyl ether</common-name>
  <description nil="true"/>
  <cas>NOCAS_46708</cas>
  <pubchem-id>2724259</pubchem-id>
  <chemical-formula>C56H114O21</chemical-formula>
  <weight>1123.5</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">2016-05-22T05:54:00Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:36:56Z</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>CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO</moldb-smiles>
  <moldb-formula>C56H114O21</moldb-formula>
  <moldb-inchi>InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3</moldb-inchi>
  <moldb-inchikey>NLMKTBGFQGKQEV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1123.507</moldb-average-mass>
  <moldb-mono-mass type="decimal">1122.785260691</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2006409</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>CHEM019194</chemdb-id>
  <dsstox-id>DTXSID7046708</dsstox-id>
  <toxcast-id>46708</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00095655</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>204.82999999999996</moldb-polar-surface-area>
  <moldb-refractivity>298.2168999999999</moldb-refractivity>
  <moldb-polarizability>143.16461807328267</moldb-polarizability>
  <moldb-rotatable-bond-count>74</moldb-rotatable-bond-count>
  <moldb-acceptor-count>21</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>0</moldb-number-of-rings>
  <moldb-alogps-logp>2.63</moldb-alogps-logp>
  <moldb-alogps-logs>-6.81</moldb-alogps-logs>
  <moldb-alogps-solubility>1.74e-04 g/l</moldb-alogps-solubility>
</compound>
