<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351134</id>
  <title nil="true"/>
  <common-name>6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium</common-name>
  <description>6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium is a chemical compound with the formula C30H62N2O4+2. With an average molecular weight of 514.80 g/mol, 6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>34812</pubchem-id>
  <chemical-formula>C30H62N2O4+2</chemical-formula>
  <weight>514.8</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">2026-08-31T16:39:37Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:39:37Z</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>CCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCC</moldb-smiles>
  <moldb-formula>C30H62N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C30H62N2O4/c1-7-9-11-13-17-21-25-35-29(33)27-31(3,4)23-19-15-16-20-24-32(5,6)28-30(34)36-26-22-18-14-12-10-8-2/h7-28H2,1-6H3/q+2</moldb-inchi>
  <moldb-inchikey>XYQIQEYUDNAIGV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">514.4709585</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.4</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>CHEM347027</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301435</sync-id>
  <structure-inchikey>XYQIQEYUDNAIGV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000020000000000800000000000200010000000000000000000000000000000000002000000000000000000000000000002000000000000000000000000000000000000000000010000000008000020000000000100000000000000000000000020010000010000000001000000000040000000000000000000000000000020000040000000000000000000010000000000000000000000000040000000000000008000000000000000002000200000000008000000000000000000000000000000000000000000000000000000000000000000000002000000001000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���#���€���`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	 	
(�	���������������������������������������������(��� ������������� � !�!"�"#�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:03Z</structure-indexed-at>
</compound>
