350009 <common-name>8-[5-(2-ethylhexoxycarbonyl)-4-hexylcyclohex-2-en-1-yl]octanoic acid</common-name> <description>8-[5-(2-ethylhexoxycarbonyl)-4-hexylcyclohex-2-en-1-yl]octanoic acid is a compound with the formula C29H52O4. It has an average molecular weight of 464.70 g/mol.</description> <cas>67953-20-2</cas> <pubchem-id>107013</pubchem-id> <chemical-formula>C29H52O4</chemical-formula> <weight>464.7</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">2026-08-31T14:51:49Z</created-at> <updated-at type="dateTime">2026-08-31T14:51:49Z</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>CCCCCCC1C=CC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)O</moldb-smiles> <moldb-formula>C29H52O4</moldb-formula> <moldb-inchi>InChI=1S/C29H52O4/c1-4-7-9-14-18-26-21-20-25(17-13-11-10-12-15-19-28(30)31)22-27(26)29(32)33-23-24(6-3)16-8-5-2/h20-21,24-27H,4-19,22-23H2,1-3H3,(H,30,31)</moldb-inchi> <moldb-inchikey>GRHITDAOEIAGSC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">464.3865601</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.1</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>CHEM345902</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>8-[5-(2-ethylhexoxycarbonyl)-4-hexylcyclohex-2-en-1-yl]octanoic acid</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300332</sync-id> <structure-inchikey>GRHITDAOEIAGSC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000208044000000000000000000002000000000200000000000004000008000000000000008000000000000002000000000000010000000000000020000000001100000000001020000000000020010000008000000000000020000000020020000000000000000000100000000040004010000002000000010000010000000000002000000000001000010800000000800000000000000000000008000008000000000000000000000000800048000000000400000000000000000000000000000000400000000000000000000000002000000040000000010400000000000000000000000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAIQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEGAGgA AAADAwEGAGgAAAADAwEGAGAAAAADAQYAYAAAAAICBgBgAAAAAwEGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGAGAA AAABAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAEDBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIGACgAAAADBAgAKAAAAAMCCABoAAAAAwEBCwABAAECAAIDAAMEAAQFAAUG AAYHAAcICAIICQAJCgAKCwALDAAMDSgCDA4gDg8ADxAAEBEAERIAEBMAExQA FBUAFRYACRcAFxgAGBkAGRoAGhsAGxwAHB0AHR4AHh8oAh4gIAsGAEIBAAAA BgYLCgkIBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:02Z</structure-indexed-at> </compound>