89371 <common-name>Diisocyanic acid, diester with 4,5-dihexyl-6-(10-hydroxydec-1-enyl)cyclohex-2-ene-1-octanol</common-name> <description>Diisocyanic acid, diester with 4,5-dihexyl-6-(10-hydroxydec-1-enyl)cyclohex-2-ene-1-octanol belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C38H66N2O2. With an average molecular weight of 582.96 g/mol, Diisocyanic acid, diester with 4,5-dihexyl-6-(10-hydroxydec-1-enyl)cyclohex-2-ene-1-octanol is a heavy molecule.</description> <cas>23119-03-1</cas> <pubchem-id>90881</pubchem-id> <chemical-formula>C38H66N2O2</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">2026-04-04T23:40:59Z</created-at> <updated-at type="dateTime">2026-04-04T23:40:59Z</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(CCCCCCCCN=C=O)C(C=CCCCCCCCCN=C=O)C1CCCCCC</moldb-smiles> <moldb-formula>C38H66N2O2</moldb-formula> <moldb-inchi>InChI=1/C38H66N2O2/c1-3-5-7-19-25-35-29-30-36(26-20-15-12-14-18-24-32-40-34-42)38(37(35)27-21-8-6-4-2)28-22-16-11-9-10-13-17-23-31-39-33-41/h22,28-30,35-38H,3-21,23-27,31-32H2,1-2H3</moldb-inchi> <moldb-inchikey>NCFRKFKOROVDAZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">582.958</moldb-average-mass> <moldb-mono-mass type="decimal">582.5124294</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>CHEM085264</chemdb-id> <dsstox-id>DTXSID70945797</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050241</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 nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Isocyanates</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0084165</sync-id> <structure-inchikey>NCFRKFKOROVDAZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000080000000000008000000000000000000000002000810100210004000000000404000000000000000000000000010000000000000000000010000000020000020000020000200000004000000000001000020000000008000000000000000000021000020000000000000000000900000000040000010000000000000010000000000000000000008000000000000002000000000000000080010000000000000000088000000000000000000000000000040000000000000000000000800000000000000000020000000000000000000000000000000000040000000010000000000000000000000000000000100</structure-fingerprint> 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