diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate

C12H16O6S — CID 10913198

IUPACdiethyl 3,4-dimethoxythiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c(OC)c1OC
InChIInChI=1S/C12H16O6S/c1-5-17-11(13)9-7(15-3)8(16-4)10(19-9)12(14)18-6-2/h5-6H2,1-4H3
InChIKeyXTDDVHKAWXUSAE-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.12
Rot. Bonds6

About diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate

diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate (PubChem CID 10913198) has the molecular formula C12H16O6S and a molecular weight of 288.32 g/mol. Its IUPAC name is diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,4-dimethoxythiophene-2,5-dicarboxylate
PubChem CID10913198
Molecular FormulaC12H16O6S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Namediethyl 3,4-dimethoxythiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c(OC)c1OC
InChIInChI=1S/C12H16O6S/c1-5-17-11(13)9-7(15-3)8(16-4)10(19-9)12(14)18-6-2/h5-6H2,1-4H3
InChIKeyXTDDVHKAWXUSAE-UHFFFAOYSA-N
XLogP2.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze diethyl 3,4-dimethoxythiophene-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-dimethoxythiophene-2,5-dicarboxylate?
The IUPAC name of diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate (CID 10913198) is diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate?
The canonical SMILES for diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate is CCOC(=O)c1sc(C(=O)OCC)c(OC)c1OC.
What is the InChIKey of diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate?
The InChIKey is XTDDVHKAWXUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6S/c1-5-17-11(13)9-7(15-3)8(16-4)10(19-9)12(14)18-6-2/h5-6H2,1-4H3.
What are the key properties of diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate?
diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,4-dimethoxythiophene-2,5-dicarboxylate is sourced from PubChem (CID 10913198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).