Cas no 51443-38-0 (Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester)
51443-38-0 structure
Product Name:Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester
CAS No:51443-38-0
MF:C11H18O5
MW:230.257624149323
CID:362279
PubChem ID:12307589
Update Time:2025-04-19
Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester
- dipropan-2-yl 3-oxopentanedioate
- SCHEMBL1012855
- DTXSID40486960
- 51443-38-0
-
- Inchi： 1S/C11H18O5/c1-7(2)15-10(13)5-9(12)6-11(14)16-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key： KKTRMQGUGRTLQE-UHFFFAOYSA-N
- SMILES： O(C(CC(CC(=O)OC(C)C)=O)=O)C(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: 8
- Complexity: 242
- 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: 1.6
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
5. 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
51443-38-0 (Pentanedioic acid, 3-oxo-, bis(1-methylethyl) ester) Related Products
- 13195-66-9(3-Oxodecanoic Acid Ethyl Ester)
- 19150-71-1(Butanoic acid, 3-oxo-,octadecyl ester)
- 13562-84-0(Hexyl Acetoacetate)
- 13562-76-0(Butan-2-yl 3-Oxobutanoate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 542-08-5(Isopropyl acetoacetate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 1694-31-1(Tert-butyl acetoacetate)
- 3249-68-1(Ethyl butyrylacetate)
- 13562-81-7(Acetoacetic Acid 3-Pentyl Ester)
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