Cas no 88710-67-2 (Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester)
88710-67-2 structure
Product Name:Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester
CAS No:88710-67-2
MF:C14H24O5
MW:272.337365150452
CID:623652
PubChem ID:13149423
Update Time:2025-04-19
Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester
- diethyl 2-methyl-2-(2-methyl-4-oxopentan-2-yl)propanedioate
- DTXSID00522171
- 88710-67-2
- Diethyl methyl(2-methyl-4-oxopentan-2-yl)propanedioate
- diethyl 2-(1,1-dimethyl-3-oxobutyl)-2-methylmalonate
-
- Inchi： 1S/C14H24O5/c1-7-18-11(16)14(6,12(17)19-8-2)13(4,5)9-10(3)15/h7-9H2,1-6H3
- InChI Key： RSAQTMWZVNFXNZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)C(C)(C)CC(C)=O)=O
Computed Properties
- Exact Mass: 272.16237386g/mol
- Monoisotopic Mass: 272.16237386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 339
- 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: 2.1
- Topological Polar Surface Area: 69.7?2
Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
88710-67-2 (Propanedioic acid, (1,1-dimethyl-3-oxobutyl)methyl-, diethyl ester) Related Products
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- 596-75-8(Diethyl dibutylmalonate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
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- 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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