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

C6H8O3 — CID 2752890

IUPAC2-hydroxy-3,4-dimethyl-2H-furan-5-one
SMILESCC1=C(C)C(O)OC1=O
InChIInChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h5,7H,1-2H3
InChIKeyNVXHBLAEBCZZHH-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.20
Rot. Bonds

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

2-hydroxy-3,4-dimethyl-2H-furan-5-one (PubChem CID 2752890) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-2H-furan-5-one
PubChem CID2752890
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-hydroxy-3,4-dimethyl-2H-furan-5-one
SMILESCC1=C(C)C(O)OC1=O
InChIInChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h5,7H,1-2H3
InChIKeyNVXHBLAEBCZZHH-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-3-methyl-2(5H)-furanone
CID 5279300
2(5H)-Furanone, 5-hydroxy-4-methyl-
CID 115301
(S)-5-Hydroxy-3-methylfuran-2(5H)-one
CID 89419060
3-Chloro-5-hydroxy-4-methyl-2(5H)-furanone
CID 60552
3-hydroxymethyl-4-methyl-furan-2(5H)-one
CID 25178260
(5r)-5-Hydroxy-3-Methylfuran-2(5h)-One
CID 101992685
3-ethyl-2-hydroxy-4-methyl-2H-furan-5-one
CID 21545298
3-bromo-2-hydroxy-4-methyl-2H-furan-5-one
CID 60150112
Dihydroxy-dimethyl-furanone
CID 129849164
4-bromo-2-hydroxy-3-methyl-2H-furan-5-one
CID 3025749
Dimethyl 2-hydroxy-5-oxo-2,5-dihydrofuran-3,4-dicarboxylate
CID 13514448
(S)-4-Methyl-5-hydroxyfuran-2(5H)-one
CID 12242168

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-2H-furan-5-one (CID 2752890) is 2-hydroxy-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-2H-furan-5-one is CC1=C(C)C(O)OC1=O.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-2H-furan-5-one?
The InChIKey is NVXHBLAEBCZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h5,7H,1-2H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-2H-furan-5-one?
2-hydroxy-3,4-dimethyl-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 2752890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).