(2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one

Systemtic Name: (2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one Openeye Name: (2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexanone CAS Name: (2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)-1-cyclohexanone IUPAC Name: (2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one Traditional Name: (2S,5R)-2-cumyl-5-methyl-cyclohexanone Formula: C16H22O MolecularWeight: 230.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C16H22O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m1/s1