CAS 81475-22-1 4-tert-Butylcalix[5]arene - Materials / Alfa Chemistry

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Macrocycles

4-tert-Butylcalix[5]arene

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Catalog Number

ACM81475221

Product Name

4-tert-Butylcalix[5]arene

Structure

CAS

81475-22-1

Category

Macrocycles

IUPAC Name

5,11,17,23,29-pentatert-butylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol

Molecular Weight

811.1g/mol

Molecular Formula

C55H70O5

Canonical SMILES

CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C55H70O5/c1-51(2,3)41-21-31-16-33-23-42(52(4,5)6)25-35(47(33)57)18-37-27-44(54(10,11)12)29-39(49(37)59)20-40-30-45(55(13,14)15)28-38(50(40)60)19-36-26-43(53(7,8)9)24-34(48(36)58)17-32(22-41)46(31)56/h21-30,56-60H,16-20H2,1-15H3

InChI Key

HTJNUHSOASZVHV-UHFFFAOYSA-N

Complexity

1080

Covalently-Bonded Unit Count

Exact Mass

810.522325g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

810.522325g/mol

Rotatable Bond Count