2,5-dimethylfuran-3,4-dicarboxylic acid

C8H8O5 — CID 3802172

IUPAC2,5-dimethylfuran-3,4-dicarboxylic acid
SMILESCc1oc(C)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H8O5/c1-3-5(7(9)10)6(8(11)12)4(2)13-3/h1-2H3,(H,9,10)(H,11,12)
InChIKeyIDYRARBMMCSVMD-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.29
Rot. Bonds2

About 2,5-dimethylfuran-3,4-dicarboxylic acid

2,5-dimethylfuran-3,4-dicarboxylic acid (PubChem CID 3802172) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2,5-dimethylfuran-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dimethylfuran-3,4-dicarboxylic acid
PubChem CID3802172
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2,5-dimethylfuran-3,4-dicarboxylic acid
SMILESCc1oc(C)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H8O5/c1-3-5(7(9)10)6(8(11)12)4(2)13-3/h1-2H3,(H,9,10)(H,11,12)
InChIKeyIDYRARBMMCSVMD-UHFFFAOYSA-N
XLogP1.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3,4-dicarboxylic acid?
The IUPAC name of 2,5-dimethylfuran-3,4-dicarboxylic acid (CID 3802172) is 2,5-dimethylfuran-3,4-dicarboxylic acid.
What is the SMILES notation for 2,5-dimethylfuran-3,4-dicarboxylic acid?
The canonical SMILES for 2,5-dimethylfuran-3,4-dicarboxylic acid is Cc1oc(C)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 2,5-dimethylfuran-3,4-dicarboxylic acid?
The InChIKey is IDYRARBMMCSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-3-5(7(9)10)6(8(11)12)4(2)13-3/h1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2,5-dimethylfuran-3,4-dicarboxylic acid?
2,5-dimethylfuran-3,4-dicarboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3,4-dicarboxylic acid is sourced from PubChem (CID 3802172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).