(1S,4S,5S)-4-bromanyl-6,6-dimethyl-bicyclo[3.1.1]heptan-3-one

Systemtic Name: (1S,4S,5S)-4-bromanyl-6,6-dimethyl-bicyclo[3.1.1]heptan-3-one Openeye Name: (1S,2S,5S)-2-bromo-6,6-dimethyl-norpinan-3-one CAS Name: (1S,4S,5S)-4-bromo-6,6-dimethyl-3-bicyclo[3.1.1]heptanone IUPAC Name: (1S,4S,5S)-4-bromo-6,6-dimethylbicyclo[3.1.1]heptan-3-one Traditional Name: (1S,2S,5S)-2-bromo-6,6-dimethyl-norpinan-3-one Formula: C9H13BrO MolecularWeight: 217.10292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC1C(C(=O)C2)Br)C

Isomeric SMILES

CC1([C@H]2C[C@@H]1[C@@H](C(=O)C2)Br)C

InChI

InChI=1S/C9H13BrO/c1-9(2)5-3-6(9)8(10)7(11)4-5/h5-6,8H,3-4H2,1-2H3/t5-,6+,8-/m0/s1