Cas no 61248-72-4 (Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl-)
61248-72-4 structure
Product Name:Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl-
CAS No:61248-72-4
MF:C13H20
MW:176.297904014587
CID:487173
PubChem ID:12351090
Update Time:2025-04-19
Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl-
- 1-tert-butyl-2,3,5-trimethylbenzene
- DTXSID70493304
- 61248-72-4
-
- Inchi： 1S/C13H20/c1-9-7-10(2)11(3)12(8-9)13(4,5)6/h7-8H,1-6H3
- InChI Key： CGEUNQICBGDUGZ-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=C(C)C=C(C)C=1C
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: 1
- Complexity: 163
- 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: 5.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
61248-72-4 (Benzene, 1-(1,1-dimethylethyl)-2,3,5-trimethyl-) Related Products
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