AG003M1X

68971-82-4 | 4-tert-Butylcalix[8]arene

AG003M1X

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	68971-82-4
Catalog Number	AG003M1X(AGN-PC-0JR7JV)
Chemical Name	4-tert-Butylcalix[8]arene
IUPAC Name	5,11,17,23,29,35,41,47-octatert-butylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
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
InChI Key	OLZFZIXORGGLLS-UHFFFAOYSA-N
MDL Number	MFCD00075392
Molecular Formula	C88H112O8
Molecular Weight	1297.8261
NSC Number	344028
SMILES	CC(C)(C)C1=CC2=C(O)C(CC3=CC(=CC(CC4=C(O)C(CC5=C(O)C(CC6=CC(=CC(CC7=C(O)C(CC8=C(O)C(CC9=C(O)C(C2)=CC(=C9)C(C)(C)C)=CC(=C8)C(C)(C)C)=CC(=C7)C(C)(C)C)=C6O)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=C3O)C(C)(C)C)=C1
Synonyms	p-tert-butylcalix(8)arene, 4-tert-Butylcalix[8]arene, 68971-82-4, NSC344028, MFCD00075392, 4-tert-Butylcalix(8)arene, NSC-344028, 4-tert-Butylcalix[8]arene, 97%, 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)-, 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)-, p-t-butylcalix[8]arene, AC1L8WXE, p-tert-Butylcalix[8]arene, NCIStruc1_000782, NCIStruc2_001502, 3,3-Dimethyl-2-epoxybutane, CHEMBL1988145, DTXSID1091551, SCHEMBL13620669, CTK8B3017, 4-tert-Butylcalix[8]arene, 95%, ABP001036, ANW-41602, CCG-38274, NCGC00014792, NCI344028, AKOS001046081, MCULE-4728611132, NCGC00014792-02, NCGC00097893-01, Octa-tert-butyl(octahydroxy)calix[8]arene, FT-0619504, J-700383, F1170-0422, I14-113566, 5,11,17,23,29,35,41,47-octa-tert-butylnonacyclo[43.3.1.1?,?.1?,??.1??,??.1??,??.1??,??.1??,??.1??,??]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45,47-tetracosaen-49,50,51,52,53,54,55,56-octol, 5,11,17,23,29,35,41,47-octatert-butylnonacyclo[43.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~.1~33,37~.1~39,43~]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(5 1),34,36,39(50),40,42,45,47-tetracosaene-49,50,51,52,53,54,55,56-octol, 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, 4-(tert-Butyl)calix[8]arene, C88H112O8, CID434172, C88-H112-O8, B1750, 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),9,11,1, 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, Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)C(C)(C)C)c9O)C(C)(C)C)c8O)C(C)(C)C)c7O)C(C)(C)C)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C,

Complexity	1850
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1296.836g/mol
Formal Charge	0
Heavy Atom Count	96
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	1297.856g/mol
Monoisotopic Mass	1296.836g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	25.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number