<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67032</id>
  <title nil="true"/>
  <common-name>Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate</common-name>
  <description>Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate belongs to the hexacarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C70H130O13. With an average molecular weight of 1,180 g/mol, Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate is a heavy molecule.</description>
  <cas>84788-20-5</cas>
  <pubchem-id>44146718</pubchem-id>
  <chemical-formula>C70H130O13</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">2026-04-03T08:18:28Z</created-at>
  <updated-at type="dateTime">2026-04-03T08:18:28Z</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)CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C</moldb-smiles>
  <moldb-formula>C70H130O13</moldb-formula>
  <moldb-inchi>InChI=1S/C70H130O13/c1-57(2)37-25-13-19-31-43-63(71)78-51-69(52-79-64(72)44-32-20-14-26-38-58(3)4,53-80-65(73)45-33-21-15-27-39-59(5)6)49-77-50-70(54-81-66(74)46-34-22-16-28-40-60(7)8,55-82-67(75)47-35-23-17-29-41-61(9)10)56-83-68(76)48-36-24-18-30-42-62(11)12/h57-62H,13-56H2,1-12H3</moldb-inchi>
  <moldb-inchikey>QBXIVNSTBYSVBQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1179.797</moldb-average-mass>
  <moldb-mono-mass type="decimal">1178.951144</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>57510173</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>CHEM062925</chemdb-id>
  <dsstox-id>DTXSID00233831</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020711</susdat-id>
  <iupac>[3-(8-methylnonanoyloxy)-2-[[3-(8-methylnonanoyloxy)-2,2-bis(8-methylnonanoyloxymethyl)propoxy]methyl]-2-(8-methylnonanoyloxymethyl)propyl] 8-methylnonanoate</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 acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Hexacarboxylic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0173442</sync-id>
  <structure-inchikey>QBXIVNSTBYSVBQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000002000000010000000000000400000000000000000001000000000000000000000000000000200000000000000000001000000000000000000000000000000000000000020008004000100000000001000000000000080010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000001000100000000000000000000000022001000000000000000000000400000000000000000008000000000000000000800000000000000000000000000000000000000000000000000100080000000000010400000000000000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������S���R���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`������� ������`������� ������`������� ������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
(�	� ������������������������ ��(�������������������������������� � ! !"(�!#�#$�$%�%&amp;�&amp;'�'(�()�)*�)+��,�,-�-. ./(�.0�01�12�23�34�45�56�67�68�9�9:�:; ;&lt;(�;=�=&gt;�&gt;?�?@�@A�AB�BC�CD�CE�F�FG�GH HI(�HJ�JK�KL�LM�MN�NO�OP�PQ�PR�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:17:25Z</structure-indexed-at>
</compound>
