2,2-dimethylpropane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methyloxirane; oxirane

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methyloxirane; oxirane Openeye Name: 2,2-dimethylpropane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methyloxirane; oxirane CAS Name: 2,2-dimethylpropane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane; oxirane IUPAC Name: 2,2-dimethylpropane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane; oxirane Traditional Name: 2,2-dimethylpropane-1,3-diol; ethylene oxide; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propylene oxide Formula: C22H40N2O6 MolecularWeight: 428.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1CO1

Isomeric SMILES

CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1CO1

InChI

InChI=1S/C12H18N2O2.C5H12O2.C3H6O.C2H4O/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;1-5(2,3-6)4-7;1-3-2-4-3;1-2-3-1/h10H,4-7H2,1-3H3;6-7H,3-4H2,1-2H3;3H,2H2,1H3;1-2H2