6-hydroxy-2,6-dimethylpyran-3-one

C7H10O3 — CID 11040796

IUPAC6-hydroxy-2,6-dimethylpyran-3-one
SMILESCC1OC(C)(O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-5-6(8)3-4-7(2,9)10-5/h3-5,9H,1-2H3
InChIKeyVPPJRIKTMMJVFC-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds

About 6-hydroxy-2,6-dimethylpyran-3-one

6-hydroxy-2,6-dimethylpyran-3-one (PubChem CID 11040796) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethylpyran-3-one.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethylpyran-3-one
PubChem CID11040796
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name6-hydroxy-2,6-dimethylpyran-3-one
SMILESCC1OC(C)(O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-5-6(8)3-4-7(2,9)10-5/h3-5,9H,1-2H3
InChIKeyVPPJRIKTMMJVFC-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethylpyran-3-one?
The IUPAC name of 6-hydroxy-2,6-dimethylpyran-3-one (CID 11040796) is 6-hydroxy-2,6-dimethylpyran-3-one.
What is the SMILES notation for 6-hydroxy-2,6-dimethylpyran-3-one?
The canonical SMILES for 6-hydroxy-2,6-dimethylpyran-3-one is CC1OC(C)(O)C=CC1=O.
What is the InChIKey of 6-hydroxy-2,6-dimethylpyran-3-one?
The InChIKey is VPPJRIKTMMJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-6(8)3-4-7(2,9)10-5/h3-5,9H,1-2H3.
What are the key properties of 6-hydroxy-2,6-dimethylpyran-3-one?
6-hydroxy-2,6-dimethylpyran-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethylpyran-3-one is sourced from PubChem (CID 11040796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).