(2,2-dimethyl-3-oxidanyl-propyl) 7-methyloctanoate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) 7-methyloctanoate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) 7-methyloctanoate CAS Name: 7-methyloctanoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) 7-methyloctanoate Traditional Name: 7-methylcaprylic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C14H28O3 MolecularWeight: 244.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OCC(C)(C)CO

Isomeric SMILES

CC(C)CCCCCC(=O)OCC(C)(C)CO

InChI

InChI=1S/C14H28O3/c1-12(2)8-6-5-7-9-13(16)17-11-14(3,4)10-15/h12,15H,5-11H2,1-4H3