4-hydroxy-2-methyl-2,3-dihydropyran-6-one

C6H8O3 — CID 54680536

IUPAC4-hydroxy-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(O)=CC(=O)O1
InChIInChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h3-4,7H,2H2,1H3
InChIKeyPXNRZJNTMDCHFR-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.76
Rot. Bonds

About 4-hydroxy-2-methyl-2,3-dihydropyran-6-one

4-hydroxy-2-methyl-2,3-dihydropyran-6-one (PubChem CID 54680536) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-2,3-dihydropyran-6-one
PubChem CID54680536
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-hydroxy-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(O)=CC(=O)O1
InChIInChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h3-4,7H,2H2,1H3
InChIKeyPXNRZJNTMDCHFR-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-hydroxy-2-methyl-2,3-dihydropyran-6-one (CID 54680536) is 4-hydroxy-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-2,3-dihydropyran-6-one is CC1CC(O)=CC(=O)O1.
What is the InChIKey of 4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is PXNRZJNTMDCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h3-4,7H,2H2,1H3.
What are the key properties of 4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
4-hydroxy-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 128.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 54680536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).