1-(2,2-dimethyl-6-methylidene-cyclohexyl)but-2-yn-1-one

Systemtic Name: 1-(2,2-dimethyl-6-methylidene-cyclohexyl)but-2-yn-1-one Openeye Name: 1-(2,2-dimethyl-6-methylene-cyclohexyl)but-2-yn-1-one CAS Name: 1-(2,2-dimethyl-6-methylenecyclohexyl)-2-butyn-1-one IUPAC Name: 1-(2,2-dimethyl-6-methylidenecyclohexyl)but-2-yn-1-one Traditional Name: 1-(2,2-dimethyl-6-methylene-cyclohexyl)but-2-yn-1-one Formula: C13H18O MolecularWeight: 190.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C1C(=C)CCCC1(C)C

Isomeric SMILES

CC#CC(=O)C1C(=C)CCCC1(C)C

InChI

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h12H,2,6,8-9H2,1,3-4H3