2,2-dimethylpropyl 2-isocyanatohexanoate

Systemtic Name: 2,2-dimethylpropyl 2-isocyanatohexanoate Openeye Name: 2,2-dimethylpropyl 2-isocyanatohexanoate CAS Name: 2-isocyanatohexanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-isocyanatohexanoate Traditional Name: 2-isocyanatohexanoic acid neopentyl ester Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC(C)(C)C)N=C=O

Isomeric SMILES

CCCCC(C(=O)OCC(C)(C)C)N=C=O

InChI

InChI=1S/C12H21NO3/c1-5-6-7-10(13-9-14)11(15)16-8-12(2,3)4/h10H,5-8H2,1-4H3