(1S,2S,4R)-1-methyl-4-propan-2-yl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Systemtic Name: (1S,2S,4R)-1-methyl-4-propan-2-yl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde Openeye Name: (1S,2S,4R)-4-isopropyl-1-methyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde CAS Name: (1S,2S,4R)-1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enecarboxaldehyde IUPAC Name: (1S,2S,4R)-1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde Traditional Name: (1S,2S,4R)-4-isopropyl-1-methyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde Formula: C13H20O MolecularWeight: 192.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C12CCC(C=C1)(C(C2)C=O)C

Isomeric SMILES

CC(C)[C@]12CC[C@@](C=C1)([C@H](C2)C=O)C

InChI

InChI=1S/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3/t11-,12-,13+/m1/s1