(4S,5E)-4-methyl-5-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]pentanal

Systemtic Name: (4S,5E)-4-methyl-5-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]pentanal Openeye Name: (4S,5E)-5-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]-4-methyl-pentanal CAS Name: (4S,5E)-4-methyl-5-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]pentanal IUPAC Name: (4S,5E)-4-methyl-5-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]pentanal Traditional Name: (4S,5E)-5-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]-4-methyl-valeraldehyde Formula: C16H28O MolecularWeight: 236.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=CC(C)CCC=O)C1)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](/C(=C/[C@@H](C)CCC=O)/C1)C(C)C

InChI

InChI=1S/C16H28O/c1-12(2)16-8-7-14(4)11-15(16)10-13(3)6-5-9-17/h9-10,12-14,16H,5-8,11H2,1-4H3/b15-10+/t13-,14+,16-/m0/s1