3-[(3S,4S,5S)-4-ethanoyl-5-(hydroxymethyl)-4-methyl-oxolan-3-yl]butan-2-one

Systemtic Name: 3-[(3S,4S,5S)-4-ethanoyl-5-(hydroxymethyl)-4-methyl-oxolan-3-yl]butan-2-one Openeye Name: 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyl-tetrahydrofuran-3-yl]butan-2-one CAS Name: 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyl-3-oxolanyl]-2-butanone IUPAC Name: 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyloxolan-3-yl]butan-2-one Traditional Name: 3-[(3S,4S,5S)-4-acetyl-4-methyl-5-methylol-tetrahydrofuran-3-yl]butan-2-one Formula: C12H20O4 MolecularWeight: 228.2848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1COC(C1(C)C(=O)C)CO)C(=O)C

Isomeric SMILES

CC([C@@H]1CO[C@@H]([C@@]1(C)C(=O)C)CO)C(=O)C

InChI

InChI=1S/C12H20O4/c1-7(8(2)14)10-6-16-11(5-13)12(10,4)9(3)15/h7,10-11,13H,5-6H2,1-4H3/t7?,10-,11+,12-/m0/s1