4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one

C11H12O6 — CID 135721853

IUPAC4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one
SMILESCCC(=O)c1c(O)oc(=O)c(C(=O)CC)c1O
InChIInChI=1S/C11H12O6/c1-3-5(12)7-9(14)8(6(13)4-2)11(16)17-10(7)15/h14-15H,3-4H2,1-2H3
InChIKeyYROCUOOAEFQNEZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.24
Rot. Bonds4

About 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one

4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one (PubChem CID 135721853) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one.

Molecular Properties

Compound Name4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one
PubChem CID135721853
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one
SMILESCCC(=O)c1c(O)oc(=O)c(C(=O)CC)c1O
InChIInChI=1S/C11H12O6/c1-3-5(12)7-9(14)8(6(13)4-2)11(16)17-10(7)15/h14-15H,3-4H2,1-2H3
InChIKeyYROCUOOAEFQNEZ-UHFFFAOYSA-N
XLogP1.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one?
The IUPAC name of 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one (CID 135721853) is 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one.
What is the SMILES notation for 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one?
The canonical SMILES for 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one is CCC(=O)c1c(O)oc(=O)c(C(=O)CC)c1O.
What is the InChIKey of 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one?
The InChIKey is YROCUOOAEFQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-5(12)7-9(14)8(6(13)4-2)11(16)17-10(7)15/h14-15H,3-4H2,1-2H3.
What are the key properties of 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one?
4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one has a molecular weight of 240.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one is sourced from PubChem (CID 135721853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).