diethyl furan-2,5-dicarboxylate

C10H12O5 — CID 597465

IUPACdiethyl furan-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)o1
InChIInChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPHGMGTWRSNXLDV-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.63
Rot. Bonds4

About diethyl furan-2,5-dicarboxylate

diethyl furan-2,5-dicarboxylate (PubChem CID 597465) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is diethyl furan-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl furan-2,5-dicarboxylate
PubChem CID597465
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namediethyl furan-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)o1
InChIInChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPHGMGTWRSNXLDV-UHFFFAOYSA-N
XLogP1.63
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl furan-2,5-dicarboxylate?
The IUPAC name of diethyl furan-2,5-dicarboxylate (CID 597465) is diethyl furan-2,5-dicarboxylate.
What is the SMILES notation for diethyl furan-2,5-dicarboxylate?
The canonical SMILES for diethyl furan-2,5-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCC)o1.
What is the InChIKey of diethyl furan-2,5-dicarboxylate?
The InChIKey is PHGMGTWRSNXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl furan-2,5-dicarboxylate?
diethyl furan-2,5-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl furan-2,5-dicarboxylate is sourced from PubChem (CID 597465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).