Cas no 62519-02-2 (Benzene, (1,1-dimethylethyl)(2-propenyl)-)
62519-02-2 structure
Product Name:Benzene, (1,1-dimethylethyl)(2-propenyl)-
CAS No:62519-02-2
MF:C13H18
MW:174.282023906708
CID:441825
PubChem ID:14004243
Update Time:2025-04-19
Benzene, (1,1-dimethylethyl)(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1,1-dimethylethyl)(2-propenyl)-
- 1-tert-butyl-2-prop-2-enylbenzene
- DTXSID10554084
- 62519-02-2
- 1-tert-Butyl-2-(prop-2-en-1-yl)benzene
-
- Inchi： 1S/C13H18/c1-5-8-11-9-6-7-10-12(11)13(2,3)4/h5-7,9-10H,1,8H2,2-4H3
- InChI Key： PNKXECWAZDZWJL-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=CC=CC=1CC=C
Computed Properties
- Exact Mass: 174.14094
- Monoisotopic Mass: 174.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 161
- 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)(2-propenyl)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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