5-hydroxy-2,3-dimethylpyran-4-one

C7H8O3 — CID 14753406

IUPAC5-hydroxy-2,3-dimethylpyran-4-one
SMILESCc1occ(O)c(=O)c1C
InChIInChI=1S/C7H8O3/c1-4-5(2)10-3-6(8)7(4)9/h3,8H,1-2H3
InChIKeyQVGWMUPMURZBDN-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.96
Rot. Bonds

About 5-hydroxy-2,3-dimethylpyran-4-one

5-hydroxy-2,3-dimethylpyran-4-one (PubChem CID 14753406) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-hydroxy-2,3-dimethylpyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2,3-dimethylpyran-4-one
PubChem CID14753406
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name5-hydroxy-2,3-dimethylpyran-4-one
SMILESCc1occ(O)c(=O)c1C
InChIInChI=1S/C7H8O3/c1-4-5(2)10-3-6(8)7(4)9/h3,8H,1-2H3
InChIKeyQVGWMUPMURZBDN-UHFFFAOYSA-N
XLogP0.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dimethylpyran-4-one?
The IUPAC name of 5-hydroxy-2,3-dimethylpyran-4-one (CID 14753406) is 5-hydroxy-2,3-dimethylpyran-4-one.
What is the SMILES notation for 5-hydroxy-2,3-dimethylpyran-4-one?
The canonical SMILES for 5-hydroxy-2,3-dimethylpyran-4-one is Cc1occ(O)c(=O)c1C.
What is the InChIKey of 5-hydroxy-2,3-dimethylpyran-4-one?
The InChIKey is QVGWMUPMURZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-4-5(2)10-3-6(8)7(4)9/h3,8H,1-2H3.
What are the key properties of 5-hydroxy-2,3-dimethylpyran-4-one?
5-hydroxy-2,3-dimethylpyran-4-one has a molecular weight of 140.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dimethylpyran-4-one is sourced from PubChem (CID 14753406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).