<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44337</id>
  <title nil="true"/>
  <common-name>Poly[oxy(methyl-1,2-ethanediyl)], α,α'-(2,2-dimethyl-1,3-propanediyl)bis[ω-hydroxy-]</common-name>
  <description>Poly[oxy(methyl-1,2-ethanediyl)], α,α'-(2,2-dimethyl-1,3-propanediyl)bis[ω-hydroxy-] belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C11H24O4 and an average molecular weight of 220.31 g/mol.</description>
  <cas>52479-58-0</cas>
  <pubchem-id>44144919</pubchem-id>
  <chemical-formula>C11H24O4</chemical-formula>
  <weight>220.31</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">2016-06-03T10:43:40Z</created-at>
  <updated-at type="dateTime">2026-08-18T14:00:53Z</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)(COCCCO)COCCCO</moldb-smiles>
  <moldb-formula>C11H24O4</moldb-formula>
  <moldb-inchi>InChI=1S/C11H24O4/c1-11(2,9-14-7-3-5-12)10-15-8-4-6-13/h12-13H,3-10H2,1-2H3</moldb-inchi>
  <moldb-inchikey>TXQSSRQPVYENEB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">220.309</moldb-average-mass>
  <moldb-mono-mass type="decimal">220.167459253</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>57509816</chemspider-id>
  <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>CHEM043232</chemdb-id>
  <dsstox-id>DTXSID10894417</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00002096</stoff-ident-id>
  <susdat-id>NS00001454</susdat-id>
  <iupac>3-[3-(3-hydroxypropoxy)-2,2-dimethylpropoxy]propan-1-ol</iupac>
  <moldb-polar-surface-area>58.92</moldb-polar-surface-area>
  <moldb-refractivity>59.99610000000001</moldb-refractivity>
  <moldb-polarizability>25.998267655637413</moldb-polarizability>
  <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.598679556079123</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.4052670420675657</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.62</moldb-alogps-logp>
  <moldb-alogps-logs>-1.70</moldb-alogps-logs>
  <moldb-alogps-solubility>4.42e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ethers</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0046841</sync-id>
  <structure-inchikey>TXQSSRQPVYENEB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000002000000000000000000000000002000000000000000000000000000000000000000000800000000000000004004001000000000000000000000000100000000000000000000000000100000000000000000000000000010000000000000000000000000000000000000000000008000000000000000040000000000000000020000000000000000000000000000004000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000010000000000000000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10202000000000001002000000000000005000000200040020000044002000000800000000001000080000004200004008c10010000443000a0000084110400000000000080100000620000000000004000003200000420000001000c2000000040020000000000403000002000801000002004110800000010000200400008044000080800020008080008111400124400100200000800000000000041000000004000000008000024201002c0000000010800100000000040020000000004040000020080000000000280000400000000400000000000080000000000080000000000000000000000200000100010004000000000000050000000</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:11:58Z</structure-indexed-at>
</compound>
