<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">8676</id>
  <title nil="true"/>
  <common-name>STEARYL ALCOHOL</common-name>
  <description nil="true"/>
  <cas>112-92-5</cas>
  <pubchem-id>8221</pubchem-id>
  <chemical-formula>C18H38O</chemical-formula>
  <weight>270.5</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">2016-05-19T02:27:34Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:53:53Z</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>DB15953</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>CCCCCCCCCCCCCCCCCCO</moldb-smiles>
  <moldb-formula>C18H38O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3</moldb-inchi>
  <moldb-inchikey>GLDOVTGHNKAZLK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">270.4937</moldb-average-mass>
  <moldb-mono-mass type="decimal">270.292265838</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.03</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>7928</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>CHEM007571</chemdb-id>
  <dsstox-id>DTXSID8026935</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001960</susdat-id>
  <iupac>octadecan-1-ol</iupac>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>86.54889999999999</moldb-refractivity>
  <moldb-polarizability>38.653860821569424</moldb-polarizability>
  <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>16.84394282199214</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.9922594096606376</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>8.27</moldb-alogps-logp>
  <moldb-alogps-logs>-6.71</moldb-alogps-logs>
  <moldb-alogps-solubility>5.22e-05 g/l</moldb-alogps-solubility>
</compound>
