Cas no 31603-95-9 (1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)benzene)
31603-95-9 structure
Product Name:1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)benzene
CAS No:31603-95-9
MF:C14H22O
MW:206.323884487152
CID:916572
PubChem ID:5088005
Update Time:2025-04-19
1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)benzene
- 4-tert-butyl-1-tert-butyloxy-benzene
- 1-tert-Butoxy-4-tert-butylbenzene
- benzene, 1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)-
- tert-Butyl 4-tert-butylphenyl ether
- OQKCBQVVDYHAGJ-UHFFFAOYSA-N
- MFCD06277651
- AKOS002710144
- 4-t-butylphenyl t-butyl ether
- 31603-95-9
- 1-(tert-Butoxy)-4-(tert-butyl)benzene
- SY298928
- DB-190134
- SCHEMBL85686
-
- Inchi： 1S/C14H22O/c1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6/h7-10H,1-6H3
- InChI Key： OQKCBQVVDYHAGJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 206.16716
- Monoisotopic Mass: 206.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1-(1,1-dimethylethoxy)-4-(1,1-dimethylethyl)benzene Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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