Cas no 994-25-2 (Pentane, 3-chloro-3-ethyl-)
Pentane, 3-chloro-3-ethyl- structure
Product Name:Pentane, 3-chloro-3-ethyl-
Pentane, 3-chloro-3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentane, 3-chloro-3-ethyl-
- 3-chloro-3-ethylpentane
- InChI=1/C7H15Cl/c1-4-7(8,5-2)6-3/h4-6H2,1-3H
- SCHEMBL5531248
- 3-chloro-3-ethyl-pentane
- DTXSID90348988
- 994-25-2
-
- Inchi： 1S/C7H15Cl/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
- InChI Key： ZOUXTTNTFFBAQN-UHFFFAOYSA-N
- SMILES： ClC(CC)(CC)CC
Computed Properties
- Exact Mass: 134.0862282g/mol
- Monoisotopic Mass: 134.0862282g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 47.1
- 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: 3.4
- Topological Polar Surface Area: 0?2
Pentane, 3-chloro-3-ethyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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