<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">87728</id>
  <title nil="true"/>
  <common-name>4-Ethoxypent-3-en-2-one</common-name>
  <description>4-Ethoxypent-3-en-2-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C7H12O2 and an average molecular weight of 128.17 g/mol. It is further classified as an organic oxygen compound.</description>
  <cas>1540-24-5</cas>
  <pubchem-id>102141</pubchem-id>
  <chemical-formula>C7H12O2</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">2026-04-04T22:22:20Z</created-at>
  <updated-at type="dateTime">2026-04-04T22:22:20Z</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>CCOC(C)=CC(C)=O</moldb-smiles>
  <moldb-formula>C7H12O2</moldb-formula>
  <moldb-inchi>InChI=1/C7H12O2/c1-4-9-7(3)5-6(2)8/h5H,4H2,1-3H3</moldb-inchi>
  <moldb-inchikey>QYEVFNRONKBUNY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">128.171</moldb-average-mass>
  <moldb-mono-mass type="decimal">128.0837296</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>CHEM083621</chemdb-id>
  <dsstox-id>DTXSID20934893</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00048347</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>CED0154843</sync-id>
  <structure-inchikey>QYEVFNRONKBUNY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000200000000000000000000000000000000000000000800008000020000000000300000000000000000000000000010000000000000000000000000000000000000000000000000000400000000040000000000000008000000000000000000000000000020000000000000000000000000000000000000100000000000000000000000000004000000000000000000000000000000000002000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>800000006000000000000002000000000000004000000200040000040044000000000800000000001000000000004200000000400000000442000a00000801100000000000000000000004200000000000040000002000400200000090004302000000000002000000040600000200080100000600411080000001000028040000004400000080000000800000010040002444000000000080000000000004100000000400000000800002200100ac00000000008000000000000000000000000000400020000c00000000000000000000000084000000000000800000000000c0000000000000004000000002000100000004000080000020050020000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������	�������€���`�������`�������(�������(�������`�������h��������(�������`�������(�������������� �����(��� �����(�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:31:39Z</structure-indexed-at>
</compound>
