(3R,4S,5R)-3-tert-butyl-4-ethanoyl-5-methyl-cyclohexan-1-one

Systemtic Name: (3R,4S,5R)-3-tert-butyl-4-ethanoyl-5-methyl-cyclohexan-1-one Openeye Name: (3R,4S,5R)-4-acetyl-3-tert-butyl-5-methyl-cyclohexanone CAS Name: (3R,4S,5R)-4-acetyl-3-tert-butyl-5-methyl-1-cyclohexanone IUPAC Name: (3R,4S,5R)-4-acetyl-3-tert-butyl-5-methylcyclohexan-1-one Traditional Name: (3R,4S,5R)-4-acetyl-3-tert-butyl-5-methyl-cyclohexanone Formula: C13H22O2 MolecularWeight: 210.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1C(=O)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22O2/c1-8-6-10(15)7-11(13(3,4)5)12(8)9(2)14/h8,11-12H,6-7H2,1-5H3/t8-,11-,12-/m1/s1