Molecule ID: 169132

IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Description: The molecule is a diisocyanate in which the two isocyanate groups are linked by an isophorone substituent. It derives from an isophorone.

SMILES: CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1

SELFIES: [C][C][Branch1][C][C][C][C][Branch1][Ring2][N][=C][=O][C][C][Branch1][C][C][Branch1][Branch1][C][N][=C][=O][C][Ring1][#C]

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

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 4.5