6-hydroxy-6-methylpyran-3-one

C6H8O3 — CID 14827349

IUPAC6-hydroxy-6-methylpyran-3-one
SMILESCC1(O)C=CC(=O)CO1
InChIInChI=1S/C6H8O3/c1-6(8)3-2-5(7)4-9-6/h2-3,8H,4H2,1H3
InChIKeyMURYEHDRHKZZHC-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds

About 6-hydroxy-6-methylpyran-3-one

6-hydroxy-6-methylpyran-3-one (PubChem CID 14827349) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 6-hydroxy-6-methylpyran-3-one.

Molecular Properties

Compound Name6-hydroxy-6-methylpyran-3-one
PubChem CID14827349
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name6-hydroxy-6-methylpyran-3-one
SMILESCC1(O)C=CC(=O)CO1
InChIInChI=1S/C6H8O3/c1-6(8)3-2-5(7)4-9-6/h2-3,8H,4H2,1H3
InChIKeyMURYEHDRHKZZHC-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

Analyze 6-hydroxy-6-methylpyran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methylpyran-3-one?
The IUPAC name of 6-hydroxy-6-methylpyran-3-one (CID 14827349) is 6-hydroxy-6-methylpyran-3-one.
What is the SMILES notation for 6-hydroxy-6-methylpyran-3-one?
The canonical SMILES for 6-hydroxy-6-methylpyran-3-one is CC1(O)C=CC(=O)CO1.
What is the InChIKey of 6-hydroxy-6-methylpyran-3-one?
The InChIKey is MURYEHDRHKZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-6(8)3-2-5(7)4-9-6/h2-3,8H,4H2,1H3.
What are the key properties of 6-hydroxy-6-methylpyran-3-one?
6-hydroxy-6-methylpyran-3-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-6-methylpyran-3-one is sourced from PubChem (CID 14827349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).