1-(2,5-dimethylfuran-3-yl)-4,4-dimethyl-pentane-1,3-dione

Systemtic Name: 1-(2,5-dimethylfuran-3-yl)-4,4-dimethyl-pentane-1,3-dione Openeye Name: 1-(2,5-dimethyl-3-furyl)-4,4-dimethyl-pentane-1,3-dione CAS Name: 1-(2,5-dimethyl-3-furanyl)-4,4-dimethylpentane-1,3-dione IUPAC Name: 1-(2,5-dimethylfuran-3-yl)-4,4-dimethylpentane-1,3-dione Traditional Name: 1-(2,5-dimethyl-3-furyl)-4,4-dimethyl-pentane-1,3-dione Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C13H18O3/c1-8-6-10(9(2)16-8)11(14)7-12(15)13(3,4)5/h6H,7H2,1-5H3