<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">11009</id>
  <title nil="true"/>
  <common-name>Acetic acid, dianhydride with silicic acid (H4SiO4) bis(1,1-dimethylethyl) ester</common-name>
  <description nil="true"/>
  <cas>13170-23-5</cas>
  <pubchem-id>83199</pubchem-id>
  <chemical-formula>C12H24O6Si</chemical-formula>
  <weight>292.4</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">2016-05-19T03:13:12Z</created-at>
  <updated-at type="dateTime">2026-08-18T20:59:07Z</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(=O)O[Si](OC(C)=O)(OC(C)(C)C)OC(C)(C)C</moldb-smiles>
  <moldb-formula>C12H24O6Si</moldb-formula>
  <moldb-inchi>InChI=1S/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3</moldb-inchi>
  <moldb-inchikey>OPARTXXEFXPWJL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">292.403</moldb-average-mass>
  <moldb-mono-mass type="decimal">292.134215028</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>CHEM009904</chemdb-id>
  <dsstox-id>DTXSID3065372</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00000488</stoff-ident-id>
  <susdat-id>NS00051611</susdat-id>
  <iupac>[acetyloxy-bis[(2-methylpropan-2-yl)oxy]silyl] acetate</iupac>
  <moldb-polar-surface-area>71.06000000000002</moldb-polar-surface-area>
  <moldb-refractivity>65.1372</moldb-refractivity>
  <moldb-polarizability>29.515226336435905</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.17242943855794</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>3.50</moldb-alogps-logp>
  <moldb-alogps-logs>-3.67</moldb-alogps-logs>
  <moldb-alogps-solubility>6.29e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Dicarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
</compound>
