diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate

C14H20O8S — CID 3244390

IUPACdiethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c(OCCO)c1OCCO
InChIInChI=1S/C14H20O8S/c1-3-19-13(17)11-9(21-7-5-15)10(22-8-6-16)12(23-11)14(18)20-4-2/h15-16H,3-8H2,1-2H3
InChIKeyXVTYDFGUZFDOGM-UHFFFAOYSA-N
MW348.37 g/mol
LogP0.84
Rot. Bonds10

About diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate

diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate (PubChem CID 3244390) has the molecular formula C14H20O8S and a molecular weight of 348.37 g/mol. Its IUPAC name is diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate
PubChem CID3244390
Molecular FormulaC14H20O8S
Molecular Weight348.37 g/mol
Exact Mass348.09
IUPAC Namediethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c(OCCO)c1OCCO
InChIInChI=1S/C14H20O8S/c1-3-19-13(17)11-9(21-7-5-15)10(22-8-6-16)12(23-11)14(18)20-4-2/h15-16H,3-8H2,1-2H3
InChIKeyXVTYDFGUZFDOGM-UHFFFAOYSA-N
XLogP0.84
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-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 diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate?
The IUPAC name of diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate (CID 3244390) is diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate?
The canonical SMILES for diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate is CCOC(=O)c1sc(C(=O)OCC)c(OCCO)c1OCCO.
What is the InChIKey of diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate?
The InChIKey is XVTYDFGUZFDOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O8S/c1-3-19-13(17)11-9(21-7-5-15)10(22-8-6-16)12(23-11)14(18)20-4-2/h15-16H,3-8H2,1-2H3.
What are the key properties of diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate?
diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate has a molecular weight of 348.37 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate is sourced from PubChem (CID 3244390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).