(4,5-dimethyl-5-oxidanyl-hexan-3-yl) 2-methylpropanoate

Systemtic Name: (4,5-dimethyl-5-oxidanyl-hexan-3-yl) 2-methylpropanoate Openeye Name: (1-ethyl-3-hydroxy-2,3-dimethyl-butyl) 2-methylpropanoate CAS Name: 2-methylpropanoic acid (5-hydroxy-4,5-dimethylhexan-3-yl) ester IUPAC Name: (5-hydroxy-4,5-dimethylhexan-3-yl) 2-methylpropanoate Traditional Name: 2-methylpropionic acid (1-ethyl-3-hydroxy-2,3-dimethyl-butyl) ester Formula: C12H24O3 MolecularWeight: 216.31716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C)(C)O)OC(=O)C(C)C

Isomeric SMILES

CCC(C(C)C(C)(C)O)OC(=O)C(C)C

InChI

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