4-tert-Butylcalix[6]arene

CAS: 78092-53-2

Ref. 3D-FB09799

Product Information

• Name: 4-tert-Butylcalix[6]arene
• Synonyms: 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

Description

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

• Brand: Biosynth

Chemical properties

• Molecular weight: 973.37 g/mol
• Formula: C₆₆H₈₄O₆
• Purity: Min. 95%
• Color/Form: 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
• InChI key: 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