<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">101202</id>
  <title nil="true"/>
  <common-name>Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate</common-name>
  <description>Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the formula C15H24O3 and an average molecular weight of 252.35 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.</description>
  <cas>93804-65-0</cas>
  <pubchem-id>3022450</pubchem-id>
  <chemical-formula>C15H24O3</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">2026-04-05T08:26:44Z</created-at>
  <updated-at type="dateTime">2026-04-05T08:26:44Z</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>CCCCCCC1=CC(=O)CCC1C(=O)OCC</moldb-smiles>
  <moldb-formula>C15H24O3</moldb-formula>
  <moldb-inchi>InChI=1/C15H24O3/c1-3-5-6-7-8-12-11-13(16)9-10-14(12)15(17)18-4-2/h11,14H,3-10H2,1-2H3</moldb-inchi>
  <moldb-inchikey>VAFVKZPVSZARCO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">252.354</moldb-average-mass>
  <moldb-mono-mass type="decimal">252.1725446</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM097095</chemdb-id>
  <dsstox-id>DTXSID50917831</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00064393</susdat-id>
  <iupac nil="true"/>
  <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>Carbonyl compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0110258</sync-id>
  <structure-inchikey>VAFVKZPVSZARCO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>880000000000000010000000000000000000000020000000000002000020000000000000000000000000000000000000000000000000000002000000000000010000000000000020000004000100000000000000000000000020010000000040000000000000000000020000000000000000000000100000000040000000000000000000010000000080820000002080021000000000000000800004000000000000080000000000000008000880000000000400000000000000000000000000000000400000000000000000002000200000000000000000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������(�������h��������(�������(�������`�������`�������`�������(�������(�������(�������`�������`��������������������������(��� �	(��
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������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:39:41Z</structure-indexed-at>
</compound>
