<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45318</id>
  <title nil="true"/>
  <common-name>2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-3,5,7,9,11,13,15,17-octaoxa-2,4,6,8,10,12,14,16,18-nonasilanonadecane</common-name>
  <description nil="true"/>
  <cas>2652-13-3</cas>
  <pubchem-id>75858</pubchem-id>
  <chemical-formula>C20H60O8Si9</chemical-formula>
  <weight>681.5</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">2016-06-03T11:53:06Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:25:11Z</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>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</moldb-smiles>
  <moldb-formula>C20H60O8Si9</moldb-formula>
  <moldb-inchi>InChI=1S/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3</moldb-inchi>
  <moldb-inchikey>XVNZQBSRKFXKSM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">681.457</moldb-average-mass>
  <moldb-mono-mass type="decimal">680.221157707</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>CHEM044213</chemdb-id>
  <dsstox-id>DTXSID8062575</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>chemicalize.org</stoff-ident-origin>
  <stoff-ident-id>SI00005322</stoff-ident-id>
  <susdat-id>NS00048081</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>73.84000000000002</moldb-polar-surface-area>
  <moldb-refractivity>128.72200000000004</moldb-refractivity>
  <moldb-polarizability>68.1828558059168</moldb-polarizability>
  <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-3.0986874410344</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>5.87</moldb-alogps-logp>
  <moldb-alogps-logs>-6.85</moldb-alogps-logs>
  <moldb-alogps-solubility>9.66e-05 g/l</moldb-alogps-solubility>
</compound>
