4-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]butan-2-one

Systemtic Name: 4-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]butan-2-one Openeye Name: 4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]butan-2-one CAS Name: 4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]-2-butanone IUPAC Name: 4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one Traditional Name: 4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]butan-2-one Formula: C13H24O2 MolecularWeight: 212.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1CCC(=O)C)(C)C)O

Isomeric SMILES

C[C@@H]1C[C@@H](CC([C@H]1CCC(=O)C)(C)C)O

InChI

InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9,11-12,15H,5-8H2,1-4H3/t9-,11+,12+/m1/s1