Dipropan-2-yl 2,5-dioxocyclohexane-1,4-dicarboxylate 49748-30-3 wiki

1.2 Synonyms: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, bis(1-methylethyl) ester; CTK1C6819; DTXSID40785167;

1.6 Inchi: InChI=1S/C14H20O6/c1-7(2)19-13(17)9-5-12(16)10(6-11(9)15)14(18)20-8(3)4/h7-10H,5-6H2,1-4H3

542-08-5 80 Suppliers

49748-30-3

3. Precursor and Product

precursor:

542-08-5

4. Computed Properties

Molecular Weight：284.3g/mol
Molecular Formula：C₁₄H₂₀O₆
Compound Is Canonicalized：True
Exact Mass：1.2
XLogP3-AA：284.12598835
Monoisotopic Mass：284.12598835
Complexity：383
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：86.7
Heavy Atom Count：：20
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：2
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADRSggAICCAAABAAIAICQCAAAAAAAAAAAAAEAAAAAABYIAAACAAAEIAAAAAGLyDCOAAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation