dimethyl 2,5-dimethylfuran-3,4-dicarboxylate

C10H12O5 — CID 12706089

IUPACdimethyl 2,5-dimethylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C10H12O5/c1-5-7(9(11)13-3)8(6(2)15-5)10(12)14-4/h1-4H3
InChIKeyRUAVVKQPXWELCR-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.47
Rot. Bonds2

About dimethyl 2,5-dimethylfuran-3,4-dicarboxylate

dimethyl 2,5-dimethylfuran-3,4-dicarboxylate (PubChem CID 12706089) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl 2,5-dimethylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,5-dimethylfuran-3,4-dicarboxylate
PubChem CID12706089
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namedimethyl 2,5-dimethylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C10H12O5/c1-5-7(9(11)13-3)8(6(2)15-5)10(12)14-4/h1-4H3
InChIKeyRUAVVKQPXWELCR-UHFFFAOYSA-N
XLogP1.47
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2,5-dimethylfuran-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,5-dimethylfuran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2,5-dimethylfuran-3,4-dicarboxylate (CID 12706089) is dimethyl 2,5-dimethylfuran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,5-dimethylfuran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2,5-dimethylfuran-3,4-dicarboxylate is COC(=O)c1c(C)oc(C)c1C(=O)OC.
What is the InChIKey of dimethyl 2,5-dimethylfuran-3,4-dicarboxylate?
The InChIKey is RUAVVKQPXWELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-7(9(11)13-3)8(6(2)15-5)10(12)14-4/h1-4H3.
What are the key properties of dimethyl 2,5-dimethylfuran-3,4-dicarboxylate?
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,5-dimethylfuran-3,4-dicarboxylate is sourced from PubChem (CID 12706089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).