4-tert-Butylcalix[6]arene

CAS: 78092-53-2

Ref. 3D-FB09799

Informação sobre produto

• Nome: 4-tert-Butylcalix[6]arene
• Sinónimos: 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxycalix[6]arene, 5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol, 5,11,17,23,29,35-Hexakis(1,1-dimethylethyl)heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol, Calx-B 6, Heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol, 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-, Heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]Dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-Octadecaene-37,38,39,40,41,42-Hexol, 5,11,17,23,29,35-Hexakis(1,1-Dimethylethyl)-, NSC 344029, p-t-Butylcalix[6]arene, p-tert-Butylcalix[6]arene, tert-Butylcalix[6]arene
• CAS: 78092-53-2

Descrição

4-tert-Butylcalix[6]arene is a cyanate molecule with a supramolecular structure. It contains functional groups such as diphenyl ether, caffeine, and bromophenol. The neutral pH of 4-tert-butylcalix[6]arene makes it suitable for use in various applications. This molecule has binding constants to chloride ions, which are used for the detection and treatment of metal ions in water. The structural formula of the molecule is shown below:

The molecular descriptors of 4-tert-butylcalix[6]arene are:

Molecular weight: 261.2

LogP (octanol/water): 3.9

Hogness: 0.7

Boltzmann distribution coefficient: 0.03

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 973.37 g/mol
• Fórmula: C₆₆H₈₄O₆
• Pureza: Min. 95%
• Cor/forma: Powder
• InChI: InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
• Chave InChI: InChIKey=UOEYZAXKBKAKRO-UHFFFAOYSA-N
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2