Cas no 647028-10-2 (Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]-)
![Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]- structure](https://ossimg.kuujia.com/scimg/647500/647028-10-2x500.png)
647028-10-2 structure
Product Name:Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]-
CAS No:647028-10-2
MF:C14H18
MW:186.292724132538
CID:417977
PubChem ID:12128367
Update Time:2025-04-19
Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]-
- (2-tert-butylcyclobuten-1-yl)benzene
- DTXSID40478123
- 647028-10-2
-
- Inchi： 1S/C14H18/c1-14(2,3)13-10-9-12(13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
- InChI Key： SKHTWEJXFLUHIU-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1=C(C2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 186.14094
- Monoisotopic Mass: 186.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 3.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, [2-(1,1-dimethylethyl)-1-cyclobuten-1-yl]- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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