(2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxidanylidenepentan-2-yl]-2,3-dihydropyran-4-one

Systemtic Name: (2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxidanylidenepentan-2-yl]-2,3-dihydropyran-4-one Openeye Name: (2S,3R)-2,3,5-trimethyl-6-[(1S)-1-methyl-2-oxo-butyl]-2,3-dihydropyran-4-one CAS Name: (2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one IUPAC Name: (2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one Traditional Name: (2S,3R)-6-[(1S)-2-keto-1-methyl-butyl]-2,3,5-trimethyl-2,3-dihydropyran-4-one Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C1=C(C(=O)C(C(O1)C)C)C

Isomeric SMILES

CCC(=O)[C@@H](C)C1=C(C(=O)[C@@H]([C@@H](O1)C)C)C

InChI

InChI=1S/C13H20O3/c1-6-11(14)8(3)13-9(4)12(15)7(2)10(5)16-13/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m1/s1