3,5-diacetyl-4,6-dihydroxypyran-2-one

C9H8O6 — CID 135465969

IUPAC3,5-diacetyl-4,6-dihydroxypyran-2-one
SMILESCC(=O)c1c(O)oc(=O)c(C(C)=O)c1O
InChIInChI=1S/C9H8O6/c1-3(10)5-7(12)6(4(2)11)9(14)15-8(5)13/h12-13H,1-2H3
InChIKeyISDVKWGLGFGXJD-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.46
Rot. Bonds2

About 3,5-diacetyl-4,6-dihydroxypyran-2-one

3,5-diacetyl-4,6-dihydroxypyran-2-one (PubChem CID 135465969) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3,5-diacetyl-4,6-dihydroxypyran-2-one.

Molecular Properties

Compound Name3,5-diacetyl-4,6-dihydroxypyran-2-one
PubChem CID135465969
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name3,5-diacetyl-4,6-dihydroxypyran-2-one
SMILESCC(=O)c1c(O)oc(=O)c(C(C)=O)c1O
InChIInChI=1S/C9H8O6/c1-3(10)5-7(12)6(4(2)11)9(14)15-8(5)13/h12-13H,1-2H3
InChIKeyISDVKWGLGFGXJD-UHFFFAOYSA-N
XLogP0.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-4,6-dihydroxypyran-2-one?
The IUPAC name of 3,5-diacetyl-4,6-dihydroxypyran-2-one (CID 135465969) is 3,5-diacetyl-4,6-dihydroxypyran-2-one.
What is the SMILES notation for 3,5-diacetyl-4,6-dihydroxypyran-2-one?
The canonical SMILES for 3,5-diacetyl-4,6-dihydroxypyran-2-one is CC(=O)c1c(O)oc(=O)c(C(C)=O)c1O.
What is the InChIKey of 3,5-diacetyl-4,6-dihydroxypyran-2-one?
The InChIKey is ISDVKWGLGFGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c1-3(10)5-7(12)6(4(2)11)9(14)15-8(5)13/h12-13H,1-2H3.
What are the key properties of 3,5-diacetyl-4,6-dihydroxypyran-2-one?
3,5-diacetyl-4,6-dihydroxypyran-2-one has a molecular weight of 212.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-4,6-dihydroxypyran-2-one is sourced from PubChem (CID 135465969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).