3-hydroxy-2,4-dimethyl-2H-furan-5-one

C6H8O3 — CID 54698897

IUPAC3-hydroxy-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(O)C(C)OC1=O
InChIInChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3
InChIKeyYDFWUMWMONMZLA-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.76
Rot. Bonds

About 3-hydroxy-2,4-dimethyl-2H-furan-5-one

3-hydroxy-2,4-dimethyl-2H-furan-5-one (PubChem CID 54698897) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethyl-2H-furan-5-one
PubChem CID54698897
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3-hydroxy-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(O)C(C)OC1=O
InChIInChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3
InChIKeyYDFWUMWMONMZLA-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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Related Compounds

Sotolone
CID 62835
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
CID 61199
3-Acetyl-5-methyltetronic acid
CID 54689135
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
CID 12799212
3,4,5-trimethylfuran-2(5H)-one
CID 9898826
4-Hydroxy-5-methyl-5H-furan-2-one
CID 54692152
4-Hydroxy-3-methyl-2(5H)-furanone
CID 54711386
2(5H)-Furanone, 3,4-dihydroxy-5-methyl-
CID 54676244
3-Ethyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54690859
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (+)-
CID 5325921
3-ethyl-4-hydroxyfuran-2(5H)-one
CID 67932016
(2R)-2,3,4-trimethyl-2H-furan-5-one
CID 5324906

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2,4-dimethyl-2H-furan-5-one (CID 54698897) is 3-hydroxy-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2,4-dimethyl-2H-furan-5-one is CC1=C(O)C(C)OC1=O.
What is the InChIKey of 3-hydroxy-2,4-dimethyl-2H-furan-5-one?
The InChIKey is YDFWUMWMONMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5(7)4(2)9-6(3)8/h4,7H,1-2H3.
What are the key properties of 3-hydroxy-2,4-dimethyl-2H-furan-5-one?
3-hydroxy-2,4-dimethyl-2H-furan-5-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 3-hydroxy-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 54698897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).