(1S,2S,5S)-6,6-dimethyl-2-[4-(2-methyloctan-2-yl)phenyl]bicyclo[3.1.1]heptan-4-one

Systemtic Name: (1S,2S,5S)-6,6-dimethyl-2-[4-(2-methyloctan-2-yl)phenyl]bicyclo[3.1.1]heptan-4-one Openeye Name: (1S,4S,5S)-4-[4-(1,1-dimethylheptyl)phenyl]-6,6-dimethyl-norpinan-2-one CAS Name: (1S,2S,5S)-6,6-dimethyl-2-[4-(2-methyloctan-2-yl)phenyl]-4-bicyclo[3.1.1]heptanone IUPAC Name: (1S,2S,5S)-6,6-dimethyl-2-[4-(2-methyloctan-2-yl)phenyl]bicyclo[3.1.1]heptan-4-one Traditional Name: (1S,4S,5S)-4-[4-(1,1-dimethylheptyl)phenyl]-6,6-dimethyl-norpinan-2-one Formula: C24H36O MolecularWeight: 340.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC=C(C=C1)C2CC(=O)C3CC2C3(C)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C

InChI

InChI=1S/C24H36O/c1-6-7-8-9-14-23(2,3)18-12-10-17(11-13-18)19-15-22(25)21-16-20(19)24(21,4)5/h10-13,19-21H,6-9,14-16H2,1-5H3/t19-,20+,21-/m1/s1