<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293888</id>
  <title nil="true"/>
  <common-name>1-cyclohex-3-en-1-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane</common-name>
  <description>1-cyclohex-3-en-1-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane belongs to the ortho esters, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C14H22O3 and an average molecular weight of 238.32 g/mol.</description>
  <cas>97720-48-4</cas>
  <pubchem-id>175768</pubchem-id>
  <chemical-formula>C14H22O3</chemical-formula>
  <weight>238.32</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">2026-08-28T09:24:48Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:24:48Z</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>CCCC12COC(OC1)(OC2)C3CCC=CC3</moldb-smiles>
  <moldb-formula>C14H22O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H22O3/c1-2-8-13-9-15-14(16-10-13,17-11-13)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3</moldb-inchi>
  <moldb-inchikey>ZVKMAZVSFIPANT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">238.1568946</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM289781</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>1-cyclohex-3-en-1-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ortho esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245375</sync-id>
  <structure-inchikey>ZVKMAZVSFIPANT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800000000000000000000000000000000000000000000000000002000000008000000000000000000000000000000000000000000000000080000000000002000200000000000000800000000000000000000000000000000030000080000000000008000000000000020000000000000000000000500000000048000000000000000080001000000000004000000080000000000000000000000004000000020000000000001000100028000000000000000000000000000000000002000000000000000000000002000000000000000000000000100000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`������� ������ ������ ������`������� ������`�������`�������`�������`�������h��������h��������`�������������������������������	�	
���������������������
�����B���������������	
�����������
	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:39Z</structure-indexed-at>
</compound>
