CID6455868 structure

CID6455868

1,3-diisocyanato-2-methylbenzene;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;tricyclo[5.2.1.02,6]dec-3-en-8-ol

Also Known As: (C10-H18-O.C10-H14-O.C9-H6-N2-O2)x-|4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, polymer with 1,3-diisocyanatomethylbenzene and .alpha.,.alpha.,4-trimethyl-3-cyclohexene-1-methanol|3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-ol, toluene diisocyanate, alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol polymer|4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, polymer with 1,3-diisocyanatomethylbenzene and alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol

CAS: 68334-89-4
Molecular Formula C29H38N2O4
Molecular Weight 478.28317 g/mol
LogP 6.01272
Topological Polar Surface Area 99.32 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 478.28317
Monoisotopic Mass 478.28317
Heavy Atoms 35
Complexity 1005.0018

Chemical Identifiers

CAS Number 68334-89-4
SMILES CC1=CCC(CC1)C(C)(C)O.CC1=C(C=CC=C1N=C=O)N=C=O.C1C=CC2C1C3CC2CC3O

Product Overview

CID6455868 (CAS 68334-89-4), with molecular formula C29H38N2O4 and molecular weight 478.28317 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;tricyclo[5.2.1.02,6]dec-3-en-8-ol.

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