Cas no 78096-25-0 (4-Tert-Butylcalix[6]arene)
![4-Tert-Butylcalix[6]arene structure](https://ossimg.kuujia.com/scimg/78500/78096-25-0x500.png)
4-Tert-Butylcalix[6]arene structure
Product Name:4-Tert-Butylcalix[6]arene
CAS No:78096-25-0
MF:C66H84O6
MW:973.36958026886
CID:2858066
Update Time:2023-08-10
4-Tert-Butylcalix[6]arene Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-Butylcalix[6]arene
- B9OG173DMY
- Hexa-tert-butyl(hexahydroxy)calix[6]arene
- 4-tert-Butylcalix(6)arene
- 4-Tert-Butylcalix[6]arene
-
- 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： UOEYZAXKBKAKRO-UHFFFAOYSA-N
- SMILES： OC1=C2C=C(C=C1CC1C(=C(C=C(C=1)C(C)(C)C)CC1C(=C(C=C(C=1)C(C)(C)C)CC1C(=C(C=C(C=1)C(C)(C)C)CC1C(=C(C=C(C=1)C(C)(C)C)CC1C(=C(C=C(C=1)C(C)(C)C)C2)O)O)O)O)O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 72
- Rotatable Bond Count: 6
- Complexity: 1330
- XLogP3: 19.4
- Topological Polar Surface Area: 121
4-Tert-Butylcalix[6]arene Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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