Cas no 75716-87-9 (Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester)
75716-87-9 structure
Product Name:Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester
CAS No:75716-87-9
MF:C10H18O3
MW:186.248123645782
CID:539096
PubChem ID:12623185
Update Time:2025-04-19
Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester
- tert-butyl 4-methyl-2-oxopentanoate
- 75716-87-9
- SCHEMBL1088881
- DTXSID40504739
- t-butyl-4-methyl-2-oxopentanoate
-
- Inchi： 1S/C10H18O3/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7H,6H2,1-5H3
- InChI Key： IPRZICNDWOSMIL-UHFFFAOYSA-N
- SMILES： CC(CC(C(OC(C)(C)C)=O)=O)C
Computed Properties
- Exact Mass: 186.125594432g/mol
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 199
- 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: 2.2
- Topological Polar Surface Area: 43.4?2
Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
75716-87-9 (Pentanoic acid, 4-methyl-2-oxo-, 1,1-dimethylethyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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