2-hydroxy-4,6-dimethyl-2H-pyran-5-one

C7H10O3 — CID 135035537

IUPAC2-hydroxy-4,6-dimethyl-2H-pyran-5-one
SMILESCC1=CC(O)OC(C)C1=O
InChIInChI=1S/C7H10O3/c1-4-3-6(8)10-5(2)7(4)9/h3,5-6,8H,1-2H3
InChIKeyOSAJKURSCCPJHU-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds

About 2-hydroxy-4,6-dimethyl-2H-pyran-5-one

2-hydroxy-4,6-dimethyl-2H-pyran-5-one (PubChem CID 135035537) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-hydroxy-4,6-dimethyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-4,6-dimethyl-2H-pyran-5-one
PubChem CID135035537
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-hydroxy-4,6-dimethyl-2H-pyran-5-one
SMILESCC1=CC(O)OC(C)C1=O
InChIInChI=1S/C7H10O3/c1-4-3-6(8)10-5(2)7(4)9/h3,5-6,8H,1-2H3
InChIKeyOSAJKURSCCPJHU-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

Analyze 2-hydroxy-4,6-dimethyl-2H-pyran-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
L-aculose
CID 71407800
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
Ctk0I7202
CID 11029859
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041218
2-tert-Butyl-6-hydroxy-2H-pyran-3(6H)-one
CID 14041220

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,6-dimethyl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-4,6-dimethyl-2H-pyran-5-one (CID 135035537) is 2-hydroxy-4,6-dimethyl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-4,6-dimethyl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-4,6-dimethyl-2H-pyran-5-one is CC1=CC(O)OC(C)C1=O.
What is the InChIKey of 2-hydroxy-4,6-dimethyl-2H-pyran-5-one?
The InChIKey is OSAJKURSCCPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-6(8)10-5(2)7(4)9/h3,5-6,8H,1-2H3.
What are the key properties of 2-hydroxy-4,6-dimethyl-2H-pyran-5-one?
2-hydroxy-4,6-dimethyl-2H-pyran-5-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 2-hydroxy-4,6-dimethyl-2H-pyran-5-one is sourced from PubChem (CID 135035537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).