<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">88592</id>
  <title nil="true"/>
  <common-name>3-(1-Ethoxyethoxy)-3,7-dimethyloct-6-ene-1-yne</common-name>
  <description>3-(1-Ethoxyethoxy)-3,7-dimethyloct-6-ene-1-yne belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C14H24O2 and an average molecular weight of 224.34 g/mol.</description>
  <cas>31180-77-5</cas>
  <pubchem-id>169267</pubchem-id>
  <chemical-formula>C14H24O2</chemical-formula>
  <weight>224.34</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">2026-04-04T23:03:06Z</created-at>
  <updated-at type="dateTime">2026-08-19T07:41:02Z</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)OC(C)(CCC=C(C)C)C#C</moldb-smiles>
  <moldb-formula>C14H24O2</moldb-formula>
  <moldb-inchi>InChI=1/C14H24O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h1,10,13H,8-9,11H2,2-6H3</moldb-inchi>
  <moldb-inchikey>CGENMIVCMHPWGS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">224.344</moldb-average-mass>
  <moldb-mono-mass type="decimal">224.17763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM084485</chemdb-id>
  <dsstox-id>DTXSID60885496</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00049351</susdat-id>
  <iupac>3-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-yne</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>Carbonyl compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0078982</sync-id>
  <structure-inchikey>CGENMIVCMHPWGS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000002000000000000000000000000000000000000000001002000008000000000000000000804200000004000000000100002000000000004000000000000000000100002000000020000300000000000000000000000000010000000000000000001000000010000000000000020000000000400000000040000000000000000400000000000000000000000000024000400000000000080000000000000000000000000000000000000000000000000000000000000000020200400000000000000000000000000000000000000000000000000000000000000000000000000000000004008000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`������� ������ ������`�������`�������`�������h��������(�������`�������`�������(�������h��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:32:12Z</structure-indexed-at>
</compound>
