<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">216631</id>
  <title nil="true"/>
  <common-name>Ethyl 6-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyhexanoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>101734305</pubchem-id>
  <chemical-formula>C29H38NO6P</chemical-formula>
  <weight>527.6</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">2026-08-22T09:13:00Z</created-at>
  <updated-at type="dateTime">2026-08-22T09:13:00Z</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 nil="true"/>
  <moldb-formula>C29H38NO6P</moldb-formula>
  <moldb-inchi>InChI=1S/C29H38NO6P/c1-2-33-28(31)17-10-5-11-23-34-37(32,35-24-12-22-30)36-27-18-20-29(21-19-27,25-13-6-3-7-14-25)26-15-8-4-9-16-26/h3-4,6-9,13-16,27H,2,5,10-12,17-21,23-24H2,1H3</moldb-inchi>
  <moldb-inchikey>GVQOELYSOIYIGR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">527.6</moldb-average-mass>
  <moldb-mono-mass type="decimal">527.2436749</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM212524</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>ethyl 6-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyhexanoate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0097403</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle nil="true"/>
  <structure-indexed-at nil="true"/>
</compound>
