356050 <common-name>2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl n-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate</common-name> <description>2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl n-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate is a chemical compound with the formula C42H68N6O9. With an average molecular weight of 801.00 g/mol, 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl n-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate is a heavy molecule.</description> <cas>68975-82-6</cas> <pubchem-id>172342</pubchem-id> <chemical-formula>C42H68N6O9</chemical-formula> <weight>801</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">2026-09-01T01:11:20Z</created-at> <updated-at type="dateTime">2026-09-01T01:11:20Z</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>CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C</moldb-smiles> <moldb-formula>C42H68N6O9</moldb-formula> <moldb-inchi>InChI=1S/C42H68N6O9/c1-11-42(24-55-33(52)43-21-39(8)15-30(46-27-49)12-36(2,3)18-39,25-56-34(53)44-22-40(9)16-31(47-28-50)13-37(4,5)19-40)26-57-35(54)45-23-41(10)17-32(48-29-51)14-38(6,7)20-41/h30-32H,11-26H2,1-10H3,(H,43,52)(H,44,53)(H,45,54)</moldb-inchi> <moldb-inchikey>DDLUIVHBBMLRPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">800.5047778</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.9</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>CHEM351943</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>2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl n-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate</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>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306300</sync-id> <structure-inchikey>DDLUIVHBBMLRPG-UHFFFAOYSA-N</structure-inchikey> 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