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

C11H14O6 — CID 12015466

IUPACdimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1
InChIInChI=1S/C11H14O6/c1-14-8-6(10(12)16-3)5-7(9(8)15-2)11(13)17-4/h5H2,1-4H3
InChIKeyZKPIHAYMWFMHLC-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.54
Rot. Bonds4

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

dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (PubChem CID 12015466) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
PubChem CID12015466
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namedimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1
InChIInChI=1S/C11H14O6/c1-14-8-6(10(12)16-3)5-7(9(8)15-2)11(13)17-4/h5H2,1-4H3
InChIKeyZKPIHAYMWFMHLC-UHFFFAOYSA-N
XLogP0.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 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 dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (CID 12015466) is dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is COC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1.
What is the InChIKey of dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The InChIKey is ZKPIHAYMWFMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-14-8-6(10(12)16-3)5-7(9(8)15-2)11(13)17-4/h5H2,1-4H3.
What are the key properties of dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 12015466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).