methyl 3,4,4-trimethyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 3,4,4-trimethyl-5-oxidanylidene-pentanoate Openeye Name: methyl 3,4,4-trimethyl-5-oxo-pentanoate CAS Name: 3,4,4-trimethyl-5-oxopentanoic acid methyl ester IUPAC Name: methyl 3,4,4-trimethyl-5-oxopentanoate Traditional Name: 5-keto-3,4,4-trimethyl-valeric acid methyl ester Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-7(5-8(11)12-4)9(2,3)6-10/h6-7H,5H2,1-4H3