<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">100878</id>
  <title nil="true"/>
  <common-name>2-[7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane</common-name>
  <description>2-[7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane belongs to the 1,3-dioxolanes, a subclass of dioxolanes within the organic compounds. This organoheterocyclic compound has the chemical formula C15H24O2 and an average molecular weight of 236.35 g/mol.</description>
  <cas>94087-23-7</cas>
  <pubchem-id>44152860</pubchem-id>
  <chemical-formula>C15H24O2</chemical-formula>
  <weight>236.35</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">2026-04-05T08:07:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:12:54Z</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>CC(C)C1CC2CC(C3OCCO3)C1C=C2C</moldb-smiles>
  <moldb-formula>C15H24O2</moldb-formula>
  <moldb-inchi>InChI=1/C15H24O2/c1-9(2)12-7-11-8-14(13(12)6-10(11)3)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ONCMKWFWHACURX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">236.355</moldb-average-mass>
  <moldb-mono-mass type="decimal">236.17763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM096771</chemdb-id>
  <dsstox-id>DTXSID10869180</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00064005</susdat-id>
  <iupac>2-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)-1,3-dioxolane</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>Organoheterocyclic compounds</superklass>
  <klass>Dioxolanes</klass>
  <subklass>1,3-dioxolanes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0078128</sync-id>
  <structure-inchikey>ONCMKWFWHACURX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000004000000000000000000000100000000000000000000400000010000000000000000000000000000000000000000000000000200000080000000000000000000000000002000000008000000000000000000000000000000000002000100000000000000000000008020a00000200000000000000001000008000c0000008000000000000000000000000000000000000000000000000000800000000000000000008080000000000800000000000000000000000000000000000000000000040000000000000000000000004002000000080000000000000000000040000000040000000000000000000000000000000800000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`������� ������`�������h��������(�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:39:32Z</structure-indexed-at>
</compound>
