4,4-dimethyl-1-phenyl-pent-1-yn-3-one

Systemtic Name: 4,4-dimethyl-1-phenyl-pent-1-yn-3-one Openeye Name: 4,4-dimethyl-1-phenyl-pent-1-yn-3-one CAS Name: 4,4-dimethyl-1-phenyl-1-pentyn-3-one IUPAC Name: 4,4-dimethyl-1-phenylpent-1-yn-3-one Traditional Name: 4,4-dimethyl-1-phenyl-pent-1-yn-3-one Formula: C13H14O MolecularWeight: 186.24966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C13H14O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3