2,2-DIETHYLBUTYRIC ACID


Chemical Name: 2,2-DIETHYLBUTYRIC ACID
CAS Number: 813-58-1
Product Number: AG005327(AGN-PC-0WAJ1D)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 144.2114

Identification/Properties


Computed Properties
Molecular Weight:
144.214g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
144.115g/mol
Monoisotopic Mass:
144.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
106
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2,2-Diethylbutanoic acid is a versatile compound widely used in chemical synthesis due to its unique properties. This organic acid serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its branched structure and functional groups make it an ideal precursor for the synthesis of complex organic molecules. In organic synthesis, 2,2-Diethylbutanoic acid can be employed as a starting material for the production of esters, amides, and other derivatives through various chemical reactions such as esterification, amidation, and hydrogenation. Additionally, its stereochemical properties can be harnessed in the creation of chiral compounds for pharmaceutical applications. Overall, 2,2-Diethylbutanoic acid plays a crucial role in the development of novel chemical compounds with diverse industrial and scientific applications.