6-hydroxy-2-methyl-2H-pyran-5-one

C6H8O3 — CID 23563589

IUPAC6-hydroxy-2-methyl-2H-pyran-5-one
SMILESCC1C=CC(=O)C(O)O1
InChIInChI=1S/C6H8O3/c1-4-2-3-5(7)6(8)9-4/h2-4,6,8H,1H3
InChIKeyCHWHRYNJYJBBOA-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds

About 6-hydroxy-2-methyl-2H-pyran-5-one

6-hydroxy-2-methyl-2H-pyran-5-one (PubChem CID 23563589) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-2H-pyran-5-one
PubChem CID23563589
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name6-hydroxy-2-methyl-2H-pyran-5-one
SMILESCC1C=CC(=O)C(O)O1
InChIInChI=1S/C6H8O3/c1-4-2-3-5(7)6(8)9-4/h2-4,6,8H,1H3
InChIKeyCHWHRYNJYJBBOA-UHFFFAOYSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-2H-pyran-5-one?
The IUPAC name of 6-hydroxy-2-methyl-2H-pyran-5-one (CID 23563589) is 6-hydroxy-2-methyl-2H-pyran-5-one.
What is the SMILES notation for 6-hydroxy-2-methyl-2H-pyran-5-one?
The canonical SMILES for 6-hydroxy-2-methyl-2H-pyran-5-one is CC1C=CC(=O)C(O)O1.
What is the InChIKey of 6-hydroxy-2-methyl-2H-pyran-5-one?
The InChIKey is CHWHRYNJYJBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-2-3-5(7)6(8)9-4/h2-4,6,8H,1H3.
What are the key properties of 6-hydroxy-2-methyl-2H-pyran-5-one?
6-hydroxy-2-methyl-2H-pyran-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-2H-pyran-5-one is sourced from PubChem (CID 23563589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).