<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67433</id>
  <title nil="true"/>
  <common-name>Octanoic acid, tetradecyl ester</common-name>
  <description>Octanoic acid, tetradecyl ester belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. It has the formula C22H44O2 and an average molecular weight of 340.59 g/mol. This compound is classified under the superclass of lipids and lipid-like molecules.</description>
  <cas>16456-36-3</cas>
  <pubchem-id>85427</pubchem-id>
  <chemical-formula>C22H44O2</chemical-formula>
  <weight>340.6</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">2026-04-03T09:47:05Z</created-at>
  <updated-at type="dateTime">2026-08-21T23:22:09Z</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>CCCCCCCCCCCCCCOC(=O)CCCCCCC</moldb-smiles>
  <moldb-formula>C22H44O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-24-22(23)20-18-16-8-6-4-2/h3-21H2,1-2H3</moldb-inchi>
  <moldb-inchikey>HJUSCZXBOMVODD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">340.592</moldb-average-mass>
  <moldb-mono-mass type="decimal">340.334131</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>76911</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>CHEM063326</chemdb-id>
  <dsstox-id>DTXSID7066061</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00021730</susdat-id>
  <iupac>tetradecyl octanoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty alcohol esters</subklass>
  <paper-count type="integer">73</paper-count>
  <sync-id>CED0021005</sync-id>
  <structure-inchikey>HJUSCZXBOMVODD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000004000100000000000000000000000020010000000000000000000000000000000000000000000000000000000020000040000000000000000000010000000000000000000000000040001000000000000000000000000000002001000000000008000000000000000000000000000008000000000000000000000000000000000000000002000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:17:40Z</structure-indexed-at>
</compound>
