1-[(1R,4S,5r)-Bicyclo[2.1.1]hex-5-yl]ethanone
[CAS# 85439-92-5]

Identification

• Name: 1-[(1R,4S,5r)-Bicyclo[2.1.1]hex-5-yl]ethanone
• Synonyms: 1-((1R,4S,5r)-bicyclo[2.1.1]hexan-5-yl)ethanone
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.18
• CAS Registry Number: 85439-92-5
• SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]1C2
• InChI: 1S/C8H12O/c1-5(9)8-6-2-3-7(8)4-6/h6-8H,2-4H2,1H3/t6-,7+,8+
• InChIKey: LHSXSEWPRHIMRB-JIGDXULJSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 188.238°C at 760 mmHg (Cal.)
• Flash point: 59.192°C (Cal.)