methyl (1R,3S)-3-ethanoyl-4,4-dimethyl-2-(2-oxidanylidenepropyl)cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,3S)-3-ethanoyl-4,4-dimethyl-2-(2-oxidanylidenepropyl)cyclopentane-1-carboxylate Openeye Name: methyl (1R,3S)-2-acetonyl-3-acetyl-4,4-dimethyl-cyclopentanecarboxylate CAS Name: (1R,3S)-3-acetyl-4,4-dimethyl-2-(2-oxopropyl)-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-acetyl-4,4-dimethyl-2-(2-oxopropyl)cyclopentane-1-carboxylate Traditional Name: (1R,3S)-2-acetonyl-3-acetyl-4,4-dimethyl-cyclopentanecarboxylic acid methyl ester Formula: C14H22O4 MolecularWeight: 254.32208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(CC(C1C(=O)C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)CC1[C@@H](CC([C@H]1C(=O)C)(C)C)C(=O)OC

InChI

InChI=1S/C14H22O4/c1-8(15)6-10-11(13(17)18-5)7-14(3,4)12(10)9(2)16/h10-12H,6-7H2,1-5H3/t10?,11-,12+/m1/s1