p-Isopropylcalix[6]arene
[CAS# 104789-79-9]

Identification

• Name: p-Isopropylcalix[6]arene
• Synonyms: Aids-135216; Aids135216; Nsc634597
• Molecular Formula: C₆₀H₇₂O₆
• Molecular Weight: 889.23
• CAS Registry Number: 104789-79-9
• SMILES: C17=C(C(=CC(=C1)C(C)C)CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)C)CC5=C(C(=CC(=C5)C(C)C)CC6=CC(=CC(=C6O)C7)C(C)C)O)O)C(C)C)C(C)C)O
• InChI: 1S/C60H72O6/c1-31(2)37-13-43-25-45-15-38(32(3)4)17-47(56(45)62)27-49-19-40(34(7)8)21-51(58(49)64)29-53-23-42(36(11)12)24-54(60(53)66)30-52-22-41(35(9)10)20-50(59(52)65)28-48-18-39(33(5)6)16-46(57(48)63)26-44(14-37)55(43)61/h13-24,31-36,61-66H,25-30H2,1-12H3
• InChIKey: HUYWXTRCNXGJSG-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 878.818°C at 760 mmHg (Cal.)
• Flash point: 296.373°C (Cal.)