Cas no 137998-56-2 (Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester)
137998-56-2 structure
Product Name:Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester
CAS No:137998-56-2
MF:C10H18O3
MW:186.248123645782
CID:1248561
PubChem ID:14360025
Update Time:2025-04-20
Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dimethylpropyl 2-methyl-3-oxobutanoate
- Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester
- 137998-56-2
- DTXSID70559338
-
- Inchi： 1S/C10H18O3/c1-7(8(2)11)9(12)13-6-10(3,4)5/h7H,6H2,1-5H3
- InChI Key： AMSXCMNZEUYQID-UHFFFAOYSA-N
- SMILES： O(C(C(C(C)=O)C)=O)CC(C)(C)C
Computed Properties
- Exact Mass: 186.12564
- 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: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
137998-56-2 (Butanoic acid, 2-methyl-3-oxo-, 2,2-dimethylpropyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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