methyl (1R,5S)-6,6-dimethyl-4-oxidanylidene-2-propyl-bicyclo[3.1.1]hept-2-ene-3-carboxylate

Systemtic Name: methyl (1R,5S)-6,6-dimethyl-4-oxidanylidene-2-propyl-bicyclo[3.1.1]hept-2-ene-3-carboxylate Openeye Name: methyl (1R,5S)-6,6-dimethyl-4-oxo-2-propyl-bicyclo[3.1.1]hept-2-ene-3-carboxylate CAS Name: (1R,5S)-6,6-dimethyl-4-oxo-2-propyl-3-bicyclo[3.1.1]hept-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-6,6-dimethyl-4-oxo-2-propylbicyclo[3.1.1]hept-2-ene-3-carboxylate Traditional Name: (1R,5S)-4-keto-6,6-dimethyl-2-propyl-bicyclo[3.1.1]hept-2-ene-3-carboxylic acid methyl ester Formula: C14H20O3 MolecularWeight: 236.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2CC1C2(C)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=O)[C@H]2C[C@@H]1C2(C)C)C(=O)OC

InChI

InChI=1S/C14H20O3/c1-5-6-8-9-7-10(14(9,2)3)12(15)11(8)13(16)17-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1