2-hydroxy-4-methyl-2H-pyran-5-one

C6H8O3 — CID 130031729

IUPAC2-hydroxy-4-methyl-2H-pyran-5-one
SMILESCC1=CC(O)OCC1=O
InChIInChI=1S/C6H8O3/c1-4-2-6(8)9-3-5(4)7/h2,6,8H,3H2,1H3
InChIKeyJAKSMGURSMBPGI-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds

About 2-hydroxy-4-methyl-2H-pyran-5-one

2-hydroxy-4-methyl-2H-pyran-5-one (PubChem CID 130031729) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2H-pyran-5-one
PubChem CID130031729
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-hydroxy-4-methyl-2H-pyran-5-one
SMILESCC1=CC(O)OCC1=O
InChIInChI=1S/C6H8O3/c1-4-2-6(8)9-3-5(4)7/h2,6,8H,3H2,1H3
InChIKeyJAKSMGURSMBPGI-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

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Related Compounds

6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
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-methyl-2H-pyran-3(6H)-one
CID 13011787
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
L-aculose
CID 71407800
2-hydroxy-4,6-dimethyl-2H-pyran-5-one
CID 135035537
Ctk0I7202
CID 11029859
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778
(2S)-2-hydroxy-2H-pyran-5-one
CID 13011784
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788
6-Hydroxy-2,5,6-trimethylpyran-3-one
CID 130036364

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-4-methyl-2H-pyran-5-one (CID 130031729) is 2-hydroxy-4-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-2H-pyran-5-one is CC1=CC(O)OCC1=O.
What is the InChIKey of 2-hydroxy-4-methyl-2H-pyran-5-one?
The InChIKey is JAKSMGURSMBPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-2-6(8)9-3-5(4)7/h2,6,8H,3H2,1H3.
What are the key properties of 2-hydroxy-4-methyl-2H-pyran-5-one?
2-hydroxy-4-methyl-2H-pyran-5-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 2-hydroxy-4-methyl-2H-pyran-5-one is sourced from PubChem (CID 130031729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).