Cas no 51115-81-2 (Butanoyl chloride,2,3-dimethyl-2-(1-methylethyl)-)
51115-81-2 structure
Product Name:Butanoyl chloride,2,3-dimethyl-2-(1-methylethyl)-
CAS No:51115-81-2
MF:C9H17ClO
MW:176.683682203293
CID:375645
PubChem ID:3016607
Update Time:2025-04-19
Butanoyl chloride,2,3-dimethyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride,2,3-dimethyl-2-(1-methylethyl)-
- 2,3-dimethyl-2-isopropylbutyryl chloride
- 2,3-dimethyl-2-propan-2-ylbutanoyl chloride
- 2,3-dimethyl-2-(1-methylethyl)butanoyl chloride
- Butanoyl chloride, 2,3-dimethyl-2-(1-methylethyl)-
- DTXSID30199133
- 4U3MGR53CE
- UNII-4U3MGR53CE
- EINECS 256-988-0
- 51115-81-2
- 2,3-dimethyl-2-isopropylbutanoyl chloride
- 2-isopropyl-2,3-dimethylbutanoyl chloride
- SCHEMBL290599
- NS00032213
- WMEBPQLEDFWBRX-UHFFFAOYSA-N
-
- Inchi： 1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3
- InChI Key： WMEBPQLEDFWBRX-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 176.09691
- Monoisotopic Mass: 176.0967929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 142
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Butanoyl chloride,2,3-dimethyl-2-(1-methylethyl)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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