tert-Butylcalix[6]arene

CAS Registry Number®

78092-53-2

CAS Name

tert-Butylcalix[6]arene

Molecular Formula

C66H84O6

Molecular Mass

973.37

Cite this Page

tert-Butylcalix[6]arene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78092-53-2 (retrieved 2024-11-21) (CAS RN: 78092-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    373 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=UOEYZAXKBKAKRO-UHFFFAOYSA-N

SMILES

OC=1C=2CC=3C(O)=C(CC=4C(O)=C(CC=5C(O)=C(CC6=C(O)C(CC7=C(O)C(CC1C=C(C(C)(C)C)C2)=CC(C(C)(C)C)=C7)=CC(C(C)(C)C)=C6)C=C(C(C)(C)C)C5)C=C(C(C)(C)C)C4)C=C(C(C)(C)C)C3

Canonical SMILES

OC=1C2=CC(=CC1CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC=5C=C(C=C(C5O)CC=6C=C(C=C(C6O)CC=7C=C(C=C(C7O)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]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)-
  • 5,11,17,23,29,35-Hexakis(1,1-dimethylethyl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]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-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxycalix[6]arene
  • 4-tert-Butylcalix[6]arene
  • p-tert-Butylcalix[6]arene

View All

Deleted or Replaced CAS Registry Numbers

119035-89-1, 172094-28-9, 376646-20-7, 865792-01-4, 1263817-64-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration