2,4,6-Trihexyl-1,3,5-trioxane 62427-72-9 wiki

1.6 Inchi: InChI=1S/C21H42O3/c1-4-7-10-13-16-19-22-20(17-14-11-8-5-2)24-21(23-19)18-15-12-9-6-3/h19-21H,4-18H2,1-3H3

111-71-7 12 Suppliers

62427-72-9

3. Precursor and Product

precursor:

111-71-7

product:

16486-84-3

20518-65-4

4. Computed Properties

Molecular Weight：342.6g/mol
Molecular Formula：C₂₁H₄₂O₃
Compound Is Canonicalized：True
Exact Mass：8.7
XLogP3-AA：342.31339520
Monoisotopic Mass：342.31339520
Complexity：215
Rotatable Bond Count：15
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：27.7
Heavy Atom Count：：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAACACwgAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAEAAAEAAGAwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation