(1R,4R,7R)-7-(3-Buten-1-yl)bicyclo[2.2.2]oct-5-en-2-one
[CAS# 627908-53-6]

Identification

• Name: (1R,4R,7R)-7-(3-Buten-1-yl)bicyclo[2.2.2]oct-5-en-2-one
• Synonyms: (1R,4R,7R)-7-(but-3-en-1-yl)bicyclo[2.2.2]oct-5-en-2-one
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.25
• CAS Registry Number: 627908-53-6
• SMILES: O=C1C[C@@H]2\C=C/[C@H]1[C@H](CC\C=C)C2
• InChI: 1S/C12H16O/c1-2-3-4-10-7-9-5-6-11(10)12(13)8-9/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10-,11+/m1/s1
• InChIKey: IERUPGJEKJZRIL-MXWKQRLJSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 263.59°C at 760 mmHg (Cal.)
• Flash point: 106.031°C (Cal.)
• Refractive index: 1.505 (Cal.)