Cas no 29721-97-9 (Benzene, (1,1-dimethylethyl)(1-methylethyl)-)
29721-97-9 structure
Product Name:Benzene, (1,1-dimethylethyl)(1-methylethyl)-
CAS No:29721-97-9
MF:C13H20
MW:176.297904014587
CID:1442619
PubChem ID:18417761
Update Time:2025-04-20
Benzene, (1,1-dimethylethyl)(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1,1-dimethylethyl)(1-methylethyl)-
- 1-tert-butyl-2-propan-2-ylbenzene
- 1-tert-Butyl-2-(propan-2-yl)benzene
- 29721-97-9
- isopropyl-terbutyl-benzene
- DTXSID40593587
-
- Inchi： 1S/C13H20/c1-10(2)11-8-6-7-9-12(11)13(3,4)5/h6-10H,1-5H3
- InChI Key： KNCZPLRYWQLPQT-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=CC=CC=1C(C)C
Computed Properties
- Exact Mass: 176.1566
- Monoisotopic Mass: 176.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 150
- 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: 4.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (1,1-dimethylethyl)(1-methylethyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
29721-97-9 (Benzene, (1,1-dimethylethyl)(1-methylethyl)-) Related Products
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