Cas no 62787-21-7 (Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-)
62787-21-7 structure
Product Name:Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-
CAS No:62787-21-7
MF:C20H26O
MW:282.419846057892
CID:431276
PubChem ID:13543502
Update Time:2025-04-19
Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-
- 1,3-ditert-butyl-5-phenoxybenzene
- 62787-21-7
- DTXSID20543343
- 1,3-Di-tert-butyl-5-phenoxybenzene
-
- Inchi: 1S/C20H26O/c1-19(2,3)15-12-16(20(4,5)6)14-18(13-15)21-17-10-8-7-9-11-17/h7-14H,1-6H3
- InChI Key: HJAFLPXRXOEWLW-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1)C1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 282.19848
- Monoisotopic Mass: 282.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 292
- 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: 6.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
62787-21-7 (Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-) Related Products
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