(2,4,4-trimethyl-1-oxidanyl-pentan-3-yl) 2-methylpropanoate

Systemtic Name: (2,4,4-trimethyl-1-oxidanyl-pentan-3-yl) 2-methylpropanoate Openeye Name: [1-(2-hydroxy-1-methyl-ethyl)-2,2-dimethyl-propyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid (1-hydroxy-2,4,4-trimethylpentan-3-yl) ester IUPAC Name: (1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate Traditional Name: 2-methylpropionic acid [1-(2-hydroxy-1-methyl-ethyl)-2,2-dimethyl-propyl] ester Formula: C12H24O3 MolecularWeight: 216.31716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C(C)CO)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)OC(C(C)CO)C(C)(C)C

InChI

InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3