(1R,4R,8R)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-diene
[CAS# 948594-95-4]

Identification

• Name: (1R,4R,8R)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-diene
• Synonyms: (1R,4R,8R) Carreira DOLEFIN Ligand; (1R,4R,8R)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethyl-2-bicyclo[2.2.2]octa-2,5-diene; (1R,4R,8R)-5-Benzyl-8-methoxy-1,8-dimethyl-2-(2′-methylpropyl)-bicyclo[2.2.2]octa-2,5-diene
• Molecular Formula: C₂₂H₃₀O
• Molecular Weight: 310.47
• CAS Registry Number: 948594-95-4
• SMILES: O(C)[C@]2([C@H]/1\C(=C/[C@](\C(=C\1)CC(C)C)(C2)C)Cc3ccccc3)C
• InChI: 1S/C22H30O/c1-16(2)11-19-13-20-18(12-17-9-7-6-8-10-17)14-21(19,3)15-22(20,4)23-5/h6-10,13-14,16,20H,11-12,15H2,1-5H3/t20-,21+,22-/m1/s1
• InChIKey: ACWLDJOHMGJACE-BHIFYINESA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 392.132°C at 760 mmHg (Cal.)
• Flash point: 189.238°C (Cal.)
• Refractive index: 1.546 (Cal.)