4-tert-butylcyclohexan-1-one; propan-2-ol

Systemtic Name: 4-tert-butylcyclohexan-1-one; propan-2-ol Openeye Name: 4-tert-butylcyclohexanone; propan-2-ol CAS Name: 4-tert-butyl-1-cyclohexanone; 2-propanol IUPAC Name: 4-tert-butylcyclohexan-1-one; propan-2-ol Traditional Name: 4-tert-butylcyclohexanone; propan-2-ol Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)(C)C1CCC(=O)CC1

Isomeric SMILES

CC(C)O.CC(C)(C)C1CCC(=O)CC1

InChI

InChI=1S/C10H18O.C3H8O/c1-10(2,3)8-4-6-9(11)7-5-8;1-3(2)4/h8H,4-7H2,1-3H3;3-4H,1-2H3