(1-methyl-4-oxidanylidene-cyclohexyl) 2,2-dimethylbutanoate

Systemtic Name: (1-methyl-4-oxidanylidene-cyclohexyl) 2,2-dimethylbutanoate Openeye Name: (1-methyl-4-oxo-cyclohexyl) 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid (1-methyl-4-oxocyclohexyl) ester IUPAC Name: (1-methyl-4-oxocyclohexyl) 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid (4-keto-1-methyl-cyclohexyl) ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1(CCC(=O)CC1)C

Isomeric SMILES

CCC(C)(C)C(=O)OC1(CCC(=O)CC1)C

InChI

InChI=1S/C13H22O3/c1-5-12(2,3)11(15)16-13(4)8-6-10(14)7-9-13/h5-9H2,1-4H3