(2,2,5-trimethyl-3-oxidanyl-hexyl) 2-methylpropanoate

Systemtic Name: (2,2,5-trimethyl-3-oxidanyl-hexyl) 2-methylpropanoate Openeye Name: (3-hydroxy-2,2,5-trimethyl-hexyl) 2-methylpropanoate CAS Name: 2-methylpropanoic acid (3-hydroxy-2,2,5-trimethylhexyl) ester IUPAC Name: (3-hydroxy-2,2,5-trimethylhexyl) 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-hydroxy-2,2,5-trimethyl-hexyl) ester Formula: C13H26O3 MolecularWeight: 230.34374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C)(C)COC(=O)C(C)C)O

Isomeric SMILES

CC(C)CC(C(C)(C)COC(=O)C(C)C)O

InChI

InChI=1S/C13H26O3/c1-9(2)7-11(14)13(5,6)8-16-12(15)10(3)4/h9-11,14H,7-8H2,1-6H3