Cas no 106320-75-6 (Benzene, 5-(1,1-dimethylethyl)-2-ethynyl-1,3-dimethyl-)
106320-75-6 structure
Product Name:Benzene, 5-(1,1-dimethylethyl)-2-ethynyl-1,3-dimethyl-
CAS No:106320-75-6
MF:C14H18
MW:186.292724132538
CID:1176637
PubChem ID:71334251
Update Time:2025-04-20
Benzene, 5-(1,1-dimethylethyl)-2-ethynyl-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 5-(1,1-dimethylethyl)-2-ethynyl-1,3-dimethyl-
- 5-tert-butyl-2-ethynyl-1,3-dimethylbenzene
- 106320-75-6
- DTXSID60762394
-
- Inchi： 1S/C14H18/c1-7-13-10(2)8-12(9-11(13)3)14(4,5)6/h1,8-9H,2-6H3
- InChI Key： MWVRQYWAZFGOPI-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=C(C)C(C#C)=C(C)C=1
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: 223
- 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: 4.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 5-(1,1-dimethylethyl)-2-ethynyl-1,3-dimethyl- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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