(1R,3S,4R,5R)-3-Allyl-5-methoxy-1,5-dimethylbicyclo[2.2.2]octan-2-one
[CAS# 791854-91-6]

Identification

• Name: (1R,3S,4R,5R)-3-Allyl-5-methoxy-1,5-dimethylbicyclo[2.2.2]octan-2-one
• Synonyms: (1R,3S,4R,5R)-3-allyl-5-methoxy-1,5-dimethylbicyclo[2.2.2]octan-2-one
• Molecular Formula: C₁₄H₂₂O₂
• Molecular Weight: 222.32
• CAS Registry Number: 791854-91-6
• SMILES: C[C@]12CC[C@H]([C@@H](C1=O)CC=C)[C@](C2)(C)OC
• InChI: 1S/C14H22O2/c1-5-6-10-11-7-8-13(2,12(10)15)9-14(11,3)16-4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13+,14+/m0/s1
• InChIKey: RPKOBCRTRLZOGL-OIMNJJJWSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 280.732°C at 760 mmHg (Cal.)
• Flash point: 101.714°C (Cal.)
• Refractive index: 1.49 (Cal.)