1599-47-9 Purity
96%
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Specification
The molecular formula of 1,4-Cyclohexanedione bis(ethylene ketal) is C10H16O4.
The molecular weight of 1,4-Cyclohexanedione bis(ethylene ketal) is 200.23 g/mol.
The IUPAC name of 1,4-Cyclohexanedione bis(ethylene ketal) is 1,4,9,12-tetraoxadispiro[4.2.4 8 .2 5 ]tetradecane.
The InChI of 1,4-Cyclohexanedione bis(ethylene ketal) is InChI=1S/C10H16O4/c1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h1-8H2.
The InChIKey of 1,4-Cyclohexanedione bis(ethylene ketal) is YSMVSEYPOBXSOK-UHFFFAOYSA-N.
The Canonical SMILES of 1,4-Cyclohexanedione bis(ethylene ketal) is C1CC2(CCC13OCCO3)OCCO2.
The XLogP3-AA value of 1,4-Cyclohexanedione bis(ethylene ketal) is 0.3.
1,4-Cyclohexanedione bis(ethylene ketal) has 4 hydrogen bond acceptor counts.
The topological polar surface area of 1,4-Cyclohexanedione bis(ethylene ketal) is 36.9Ų.
Yes, 1,4-Cyclohexanedione bis(ethylene ketal) is a canonicalized compound.