4-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)but-3-yn-2-one

Systemtic Name: 4-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)but-3-yn-2-one Openeye Name: 4-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)but-3-yn-2-one CAS Name: 4-(1-hydroxy-2,2,6-trimethylcyclohexyl)-3-butyn-2-one IUPAC Name: 4-(1-hydroxy-2,2,6-trimethylcyclohexyl)but-3-yn-2-one Traditional Name: 4-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)but-3-yn-2-one Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C#CC(=O)C)O)(C)C

Isomeric SMILES

CC1CCCC(C1(C#CC(=O)C)O)(C)C

InChI

InChI=1S/C13H20O2/c1-10-6-5-8-12(3,4)13(10,15)9-7-11(2)14/h10,15H,5-6,8H2,1-4H3