(1R,2S,4S)-2-Ethynyl-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
[CAS# 656801-94-4]

Identification

• Name: (1R,2S,4S)-2-Ethynyl-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
• Synonyms: (1R,2S,4S)-2-ethynyl-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
• Molecular Formula: C₁₃H₂₀
• Molecular Weight: 176.30
• CAS Registry Number: 656801-94-4
• SMILES: C[C@@]12CC[C@@H](C1)C([C@]2(C)C#C)(C)C
• InChI: 1S/C13H20/c1-6-13(5)11(2,3)10-7-8-12(13,4)9-10/h1,10H,7-9H2,2-5H3/t10-,12+,13-/m0/s1
• InChIKey: KEOIHWPGNQRJEG-UHTWSYAYSA-N

Properties

• Density: 0.916g/cm³ (Cal.)
• Boiling point: 193.656°C at 760 mmHg (Cal.)
• Flash point: 62.45°C (Cal.)
• Refractive index: 1.493 (Cal.)