AC1L583S
buta-1,3-diene;1,3-diisocyanato-2-methylbenzene;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methylhexane-1,3-diol
Also Known As: (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-|1,3-Hexanediol, 2-methyl-, polymer with 1,3-butadiene, 1,3-diisocyanatomethylbenzene and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|1,3-Hexanediol, 2-methyl-, polymer with 1,3-butadiene, 1,3-diisocyanatomethylbenzene and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane|buta-1,3-diene; 1,3-diisocyanato-2-methylbenzene; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methylhexane-1,3-diol
| Molecular Formula | C32H46N4O6 |
|---|---|
| Molecular Weight | 582.34174 g/mol |
| LogP | 6.30682 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.34174 |
| Monoisotopic Mass | 582.34174 |
| Heavy Atoms | 42 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 66072-22-8 |
|---|---|
| SMILES | CCCC(C(C)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C=CC=C |
| InChIKey | YSPQPKHLXBFMOY-UHFFFAOYSA-N |
Product Overview
AC1L583S (CAS 66072-22-8), with molecular formula C32H46N4O6 and molecular weight 582.34174 g/mol. IUPAC: buta-1,3-diene;1,3-diisocyanato-2-methylbenzene;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methylhexane-1,3-diol.