tert-Butylcalix[8]arene

CAS Registry Number®

68971-82-4
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CAS Name

tert-Butylcalix[8]arene

Molecular Formula

C88H112O8

Molecular Mass

1297.83

Cite this Page

tert-Butylcalix[8]arene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68971-82-4 (retrieved 2024-08-11) (CAS RN: 68971-82-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    418 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C88H112O8/c1-81(2,3)65-33-49-25-51-35-66(82(4,5)6)37-53(74(51)90)27-55-39-68(84(10,11)12)41-57(76(55)92)29-59-43-70(86(16,17)18)45-61(78(59)94)31-63-47-72(88(22,23)24)48-64(80(63)96)32-62-46-71(87(19,20)21)44-60(79(62)95)30-58-42-69(85(13,14)15)40-56(77(58)93)28-54-38-67(83(7,8)9)36-52(75(54)91)26-50(34-65)73(49)89/h33-48,89-96H,25-32H2,1-24H3

InChIKey

InChIKey=OLZFZIXORGGLLS-UHFFFAOYSA-N

SMILES

OC=1C=2CC=3C(O)=C(CC=4C(O)=C(CC=5C(O)=C(CC=6C(O)=C(CC7=C(O)C(CC8=C(O)C(CC9=C(O)C(CC1C=C(C(C)(C)C)C2)=CC(C(C)(C)C)=C9)=CC(C(C)(C)C)=C8)=CC(C(C)(C)C)=C7)C=C(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)CC5=CC(=CC(=C5O)CC=6C=C(C=C(C6O)CC=7C=C(C=C(C7O)CC=8C=C(C=C(C8O)CC=9C=C(C=C(C9O)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)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol, 5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)-
  • 5,11,17,23,29,35,41,47-Octakis(1,1-dimethylethyl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol
  • p-tert-Butylcalix[8]arene
  • 4-(1,1-Dimethylethyl)calix[8]arene
  • 4-tert-Butylcalix[8]arene

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Deleted or Replaced CAS Registry Numbers

78092-52-1, 106750-70-3, 121612-88-2, 123369-48-2, 142639-45-0, 150335-48-1, 152165-59-8, 376396-34-8, 406713-69-7, 438025-49-1, 507232-86-2, 882134-55-6