4-Tert-Butyldihomooxacalix[4!Arene
[CAS# 72251-68-4]

Identification

• Name: 4-Tert-Butyldihomooxacalix[4!Arene
• Molecular Formula: C₄₅H₅₈O₅
• Molecular Weight: 678.95
• CAS Registry Number: 72251-68-4
• SMILES: CC(C1=CC5=C(O)C(=C1)COCC2=C(C(=CC(=C2)C(C)(C)C)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)(C)C)C5)O)C(C)(C)C)O)(C)C
• InChI: 1S/C45H58O5/c1-42(2,3)34-16-26-13-27-17-35(43(4,5)6)19-29(39(27)47)15-31-21-37(45(10,11)12)23-33(41(31)49)25-50-24-32-22-36(44(7,8)9)20-30(40(32)48)14-28(18-34)38(26)46/h16-23,46-49H,13-15,24-25H2,1-12H3
• InChIKey: PVAYPHWSUUANLG-UHFFFAOYSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 716.521°C at 760 mmHg (Cal.)
• Flash point: 387.138°C (Cal.)

References

• (1): Cottet Kevin, Marcos Paula M, Cragg Peter J. Fifty years of oxacalix[3]arenes: A review, Beilstein Journal of Organic Chemistry, 2012