<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">24869</id>
  <title nil="true"/>
  <common-name>Triacontan-1-ol</common-name>
  <description nil="true"/>
  <cas>593-50-0</cas>
  <pubchem-id>68972</pubchem-id>
  <chemical-formula>C30H62O</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">2016-05-25T21:16:48Z</created-at>
  <updated-at type="dateTime">2026-04-02T22:53:26Z</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>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</moldb-smiles>
  <moldb-formula>C30H62O</moldb-formula>
  <moldb-inchi>InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3</moldb-inchi>
  <moldb-inchikey>REZQBEBOWJAQKS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">438.8127</moldb-average-mass>
  <moldb-mono-mass type="decimal">438.480066606</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>62194</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>CHEM023764</chemdb-id>
  <dsstox-id>DTXSID5029188</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013868</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>141.7609</moldb-refractivity>
  <moldb-polarizability>64.41043387154907</moldb-polarizability>
  <moldb-rotatable-bond-count>28</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>10.47</moldb-alogps-logp>
  <moldb-alogps-logs>-7.59</moldb-alogps-logs>
  <moldb-alogps-solubility>1.12e-05 g/l</moldb-alogps-solubility>
</compound>
