(1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one

Systemtic Name: (1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one Openeye Name: (1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one CAS Name: (1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one IUPAC Name: (1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one Traditional Name: (1S,4R)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-one Formula: C10H16O2 MolecularWeight: 168.23284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(O1)(C(=O)C2)C)C

Isomeric SMILES

C[C@@]12CC[C@@H](CC1=O)C(O2)(C)C

InChI

InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1