About (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 87935845) has the molecular formula C20H26Cl2O2SiZr
and a molecular weight of 488.64 g/mol. Its IUPAC name is (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
Molecular Properties
| Compound Name | (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride |
|---|
| PubChem CID | 87935845 |
|---|
| Molecular Formula | C20H26Cl2O2SiZr |
|---|
| Molecular Weight | 488.64 g/mol |
|---|
| Exact Mass | 486.01 |
|---|
| IUPAC Name | (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride |
|---|
| SMILES | CCOC1=[C-]CC=C1O[Si](C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4] |
|---|
| InChI | InChI=1S/C10H17O2Si.C10H9.2ClH.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-8-6-9-4-2-3-5-10(9)7-8;;;/h8H,5-6H2,1-4H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2 |
|---|
| InChIKey | LJZYBPAJHFUMNF-UHFFFAOYSA-L |
|---|
| XLogP | -0.28 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 488.64 |
| LogP ≤ 5 | -0.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride 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 (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 87935845) is (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is CCOC1=[C-]CC=C1O[Si](C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is LJZYBPAJHFUMNF-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17O2Si.C10H9.2ClH.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-8-6-9-4-2-3-5-10(9)7-8;;;/h8H,5-6H2,1-4H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 488.64 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 87935845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).