Cas no 29571-64-0 (Butanoyl chloride, 3-methyl-2-(1-methylethyl)-)
29571-64-0 structure
Product Name:Butanoyl chloride, 3-methyl-2-(1-methylethyl)-
CAS No:29571-64-0
MF:C8H15ClO
MW:162.657101869583
CID:1440078
PubChem ID:5325505
Update Time:2025-04-20
Butanoyl chloride, 3-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride, 3-methyl-2-(1-methylethyl)-
- 2-isopropyl-3-methylbutanoyl chloride
- 2-isopropyl-3-methyl-butyryl chloride
- 29571-64-0
- DA-07245
- RYQCKXJIWPFZNI-UHFFFAOYSA-N
- 2-isopropyl-3-methylbutyryl chloride
- InChI=1/C8H15ClO/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H
- SCHEMBL4904062
- 2-Isopropyl-3-methyl-butyrylchloride
- 2-isopropylisovaleryl chloride
-
- Inchi: 1S/C8H15ClO/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3
- InChI Key: RYQCKXJIWPFZNI-UHFFFAOYSA-N
- SMILES: ClC(C(C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 162.08125
- Monoisotopic Mass: 162.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 110
- 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: 17.1?2
Experimental Properties
- PSA: 17.07
Butanoyl chloride, 3-methyl-2-(1-methylethyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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