potassium 6-(hydroxymethyl)-4-oxopyran-3-olate

C6H5KO4 — CID 52918490

IUPACpotassium 6-(hydroxymethyl)-4-oxopyran-3-olate
SMILESO=c1cc(CO)occ1[O-].[K+]
InChIInChI=1S/C6H6O4.K/c7-2-4-1-5(8)6(9)3-10-4;/h1,3,7,9H,2H2;/q;+1/p-1
InChIKeyVTHPKZZBQOOGNX-UHFFFAOYSA-M
MW180.20 g/mol
LogP-3.79
Rot. Bonds1

About potassium 6-(hydroxymethyl)-4-oxopyran-3-olate

potassium 6-(hydroxymethyl)-4-oxopyran-3-olate (PubChem CID 52918490) has the molecular formula C6H5KO4 and a molecular weight of 180.20 g/mol. Its IUPAC name is potassium 6-(hydroxymethyl)-4-oxopyran-3-olate.

Molecular Properties

Compound Namepotassium 6-(hydroxymethyl)-4-oxopyran-3-olate
PubChem CID52918490
Molecular FormulaC6H5KO4
Molecular Weight180.20 g/mol
Exact Mass179.98
IUPAC Namepotassium 6-(hydroxymethyl)-4-oxopyran-3-olate
SMILESO=c1cc(CO)occ1[O-].[K+]
InChIInChI=1S/C6H6O4.K/c7-2-4-1-5(8)6(9)3-10-4;/h1,3,7,9H,2H2;/q;+1/p-1
InChIKeyVTHPKZZBQOOGNX-UHFFFAOYSA-M
XLogP-3.79
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-3.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 6-(hydroxymethyl)-4-oxopyran-3-olate?
The IUPAC name of potassium 6-(hydroxymethyl)-4-oxopyran-3-olate (CID 52918490) is potassium 6-(hydroxymethyl)-4-oxopyran-3-olate.
What is the SMILES notation for potassium 6-(hydroxymethyl)-4-oxopyran-3-olate?
The canonical SMILES for potassium 6-(hydroxymethyl)-4-oxopyran-3-olate is O=c1cc(CO)occ1[O-].[K+].
What is the InChIKey of potassium 6-(hydroxymethyl)-4-oxopyran-3-olate?
The InChIKey is VTHPKZZBQOOGNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4.K/c7-2-4-1-5(8)6(9)3-10-4;/h1,3,7,9H,2H2;/q;+1/p-1.
What are the key properties of potassium 6-(hydroxymethyl)-4-oxopyran-3-olate?
potassium 6-(hydroxymethyl)-4-oxopyran-3-olate has a molecular weight of 180.20 g/mol, XLogP of -3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(hydroxymethyl)-4-oxopyran-3-olate is sourced from PubChem (CID 52918490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).