<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">97366</id>
  <title nil="true"/>
  <common-name>2,6-Bis(2-ethylhexyl)cyclohexan-1-ol</common-name>
  <description>2,6-Bis(2-ethylhexyl)cyclohexan-1-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It has the formula C22H44O and an average molecular weight of 324.59 g/mol. This compound is further classified as an organooxygen compound and an organic oxygen compound.</description>
  <cas>77189-04-9</cas>
  <pubchem-id>3018701</pubchem-id>
  <chemical-formula>C22H44O</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">2026-04-05T05:14:50Z</created-at>
  <updated-at type="dateTime">2026-04-05T05:14:50Z</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>CCCCC(CC)CC1CCCC(CC(CC)CCCC)C1O</moldb-smiles>
  <moldb-formula>C22H44O</moldb-formula>
  <moldb-inchi>InChI=1/C22H44O/c1-5-9-12-18(7-3)16-20-14-11-15-21(22(20)23)17-19(8-4)13-10-6-2/h18-23H,5-17H2,1-4H3</moldb-inchi>
  <moldb-inchikey>MEVPWSGMRKHLRE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">324.593</moldb-average-mass>
  <moldb-mono-mass type="decimal">324.339216</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>CHEM093259</chemdb-id>
  <dsstox-id>DTXSID50998443</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00059670</susdat-id>
  <iupac nil="true"/>
  <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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Alcohols and polyols</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0112129</sync-id>
  <structure-inchikey>MEVPWSGMRKHLRE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000040000200000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000001000000000000020010000000000000000400000000000020000000000000000000000100800000041000000000000000000000008080000000000002000000000400000400000000004800000000008000000000008000000000000000100000000000000800000000000000000000000000000000000000000020000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>400000000112020080000100010821000000040001052000003420400200000c4022001000800000000041080080000004200024008c30010000643000a04000c6110400020004000090100000620200000401805001103240000422000001000c200006004002000000000044340000200080500101e0041108000002110002404000080ce0800808020240082c0008111c0852440014020000080000400080004100000010c00000000840016c25100ac000018941084010000200084002100000008404000012018000000501028000040020020050000d0002000800010000100810000000000000000000022004001000308042000e0000010050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:37:32Z</structure-indexed-at>
</compound>
