5-tert-butyl-2-methyl-cyclohexan-1-one; ethanoic acid

Systemtic Name: 5-tert-butyl-2-methyl-cyclohexan-1-one; ethanoic acid Openeye Name: acetic acid; 5-tert-butyl-2-methyl-cyclohexanone CAS Name: acetic acid; 5-tert-butyl-2-methyl-1-cyclohexanone IUPAC Name: acetic acid; 5-tert-butyl-2-methylcyclohexan-1-one Traditional Name: acetic acid; 5-tert-butyl-2-methyl-cyclohexanone Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1=O)C(C)(C)C.CC(=O)O

Isomeric SMILES

CC1CCC(CC1=O)C(C)(C)C.CC(=O)O

InChI

InChI=1S/C11H20O.C2H4O2/c1-8-5-6-9(7-10(8)12)11(2,3)4;1-2(3)4/h8-9H,5-7H2,1-4H3;1H3,(H,3,4)