3-[(1S,3R)-4-butyl-3-methyl-5-oxidanylidene-cyclohexyl]propanal

Systemtic Name: 3-[(1S,3R)-4-butyl-3-methyl-5-oxidanylidene-cyclohexyl]propanal Openeye Name: 3-[(1S,3R)-4-butyl-3-methyl-5-oxo-cyclohexyl]propanal CAS Name: 3-[(1S,3R)-4-butyl-3-methyl-5-oxocyclohexyl]propanal IUPAC Name: 3-[(1S,3R)-4-butyl-3-methyl-5-oxocyclohexyl]propanal Traditional Name: 3-[(1S,5R)-4-butyl-3-keto-5-methyl-cyclohexyl]propionaldehyde Formula: C14H24O2 MolecularWeight: 224.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(CC1=O)CCC=O)C

Isomeric SMILES

CCCCC1[C@@H](C[C@@H](CC1=O)CCC=O)C

InChI

InChI=1S/C14H24O2/c1-3-4-7-13-11(2)9-12(6-5-8-15)10-14(13)16/h8,11-13H,3-7,9-10H2,1-2H3/t11-,12+,13?/m1/s1