Cas no 10472-32-9 (Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester)
10472-32-9 structure
Product Name:Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester
CAS No:10472-32-9
MF:C11H18O5
MW:230.257624149323
CID:1146611
PubChem ID:15577745
Update Time:2025-04-20
Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester
- dimethyl 2,2,4,4-tetramethyl-3-oxopentanedioate
- dimethyl-2,2,4,4-tetra-methyl-3-ketoglutarate
- 10472-32-9
- DTXSID30574729
- SCHEMBL5859056
-
- Inchi： 1S/C11H18O5/c1-10(2,8(13)15-5)7(12)11(3,4)9(14)16-6/h1-6H3
- InChI Key： RHIKDGISMTUGTE-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OC)(C)C)C(C(=O)OC)(C)C
Computed Properties
- Exact Mass: 230.11544
- Monoisotopic Mass: 230.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 284
- 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: 1.9
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
10472-32-9 (Pentanedioic acid, 2,2,4,4-tetramethyl-3-oxo-, dimethyl ester) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 27132-23-6(Dimethyl diethylmalonate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 32249-35-7(Methyl 3-cyclopropyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 42558-54-3(Methyl 4-methyl-3-oxopentanoate)
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