(E)-4-[(1S,2R)-2-methylcyclohexyl]but-3-en-2-one

Systemtic Name: (E)-4-[(1S,2R)-2-methylcyclohexyl]but-3-en-2-one Openeye Name: (E)-4-[(1S,2R)-2-methylcyclohexyl]but-3-en-2-one CAS Name: (E)-4-[(1S,2R)-2-methylcyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-[(1S,2R)-2-methylcyclohexyl]but-3-en-2-one Traditional Name: (E)-4-[(1S,2R)-2-methylcyclohexyl]but-3-en-2-one Formula: C11H18O MolecularWeight: 166.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1C=CC(=O)C

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1/C=C/C(=O)C

InChI

InChI=1S/C11H18O/c1-9-5-3-4-6-11(9)8-7-10(2)12/h7-9,11H,3-6H2,1-2H3/b8-7+/t9-,11-/m1/s1