1-(2,2-Dimethylpropyl)-4-(4-Ethynylphenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
[CAS# 108614-30-8]

Identification

• Name: 1-(2,2-Dimethylpropyl)-4-(4-Ethynylphenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
• Synonyms: 4-(4-Ethynylphenyl)-1-Neopentyl-3,5,8-Trioxabicyclo[2.2.2]Octane; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-(2,2-Dimethylpropyl)-1-(4-Ethynylphenyl)-; 4-(2,2-Dimethylpropyl)-1-(4-Ethynylphenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 108614-30-8
• SMILES: C1=CC(=CC=C1C23OCC(CO2)(CO3)CC(C)(C)C)C#C
• InChI: 1S/C18H22O3/c1-5-14-6-8-15(9-7-14)18-19-11-17(12-20-18,13-21-18)10-16(2,3)4/h1,6-9H,10-13H2,2-4H3
• InChIKey: VXQAPGCBJDOBGN-UHFFFAOYSA-N