diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate

C13H18O6 — CID 101255348

IUPACdiethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(OC)C(OC)=C(C(=O)OCC)C1
InChIInChI=1S/C13H18O6/c1-5-18-12(14)8-7-9(13(15)19-6-2)11(17-4)10(8)16-3/h5-7H2,1-4H3
InChIKeyYQAKKDWSNUZJFW-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.32
Rot. Bonds6

About diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate

diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (PubChem CID 101255348) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
PubChem CID101255348
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namediethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(OC)C(OC)=C(C(=O)OCC)C1
InChIInChI=1S/C13H18O6/c1-5-18-12(14)8-7-9(13(15)19-6-2)11(17-4)10(8)16-3/h5-7H2,1-4H3
InChIKeyYQAKKDWSNUZJFW-UHFFFAOYSA-N
XLogP1.32
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-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 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The IUPAC name of diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (CID 101255348) is diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The canonical SMILES for diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is CCOC(=O)C1=C(OC)C(OC)=C(C(=O)OCC)C1.
What is the InChIKey of diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The InChIKey is YQAKKDWSNUZJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-5-18-12(14)8-7-9(13(15)19-6-2)11(17-4)10(8)16-3/h5-7H2,1-4H3.
What are the key properties of diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate has a molecular weight of 270.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 101255348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).