4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid

C6H6O5 — CID 71436380

IUPAC4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid
SMILESCC1(C(=O)O)C=C(O)C(=O)O1
InChIInChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10)
InChIKeyFMOWGHRAYUFXIG-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.17
Rot. Bonds1

About 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid

4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid (PubChem CID 71436380) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid
PubChem CID71436380
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid
SMILESCC1(C(=O)O)C=C(O)C(=O)O1
InChIInChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10)
InChIKeyFMOWGHRAYUFXIG-UHFFFAOYSA-N
XLogP-0.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-oxo-5-vinyl-4,5-dihydro-furan-2-carboxylic acid
CID 16125019
3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 6-tert-butyl ester
CID 54727423
5-Dimethyl-3-hydroxy-2(5h)-furanone
CID 10931451
Ethyl 4-hydroxy-2-methyl-5-oxofuran-2-carboxylate
CID 13278104
2-Hydroxy-5-oxofuran-2-carboxylic acid
CID 10844502
ethyl (2S)-4-hydroxy-2-methyl-5-oxofuran-2-carboxylate
CID 11586411
4-Carboxy-methylbut-3-en-4-olide
CID 55303438
Ethyl 4-hydroxy-4-methyl-5-oxofuran-2-carboxylate
CID 101773487
methyl (2R)-2-methyl-5-oxofuran-2-carboxylate
CID 101797962
4-Carboxy-methyl-4-methylbut-2-en-1,4-olide
CID 129669505
4-Carboxy-methylbut-2-en-4-olide
CID 129717622
(5S)-5-ethoxycarbonyl-5-methyl-2-oxofuran-3-olate
CID 134959975

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid (CID 71436380) is 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid is CC1(C(=O)O)C=C(O)C(=O)O1.
What is the InChIKey of 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid?
The InChIKey is FMOWGHRAYUFXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10).
What are the key properties of 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid?
4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid is sourced from PubChem (CID 71436380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).