2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium

C23H38Cl2O2Si2Zr — CID 87936825

About 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium

2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (PubChem CID 87936825) has the molecular formula C23H38Cl2O2Si2Zr and a molecular weight of 564.86 g/mol. Its IUPAC name is 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.

Molecular Properties

• Compound Name: 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
• PubChem CID: 87936825
• Molecular Formula: C23H38Cl2O2Si2Zr
• Molecular Weight: 564.86 g/mol
• Exact Mass: 562.08
• IUPAC Name: 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
• SMILES: CC(C)(C1=CCC(Cl)=C1CCO[Si](C)(C)C)C1=CCC(Cl)=C1CCO[Si](C)(C)C.[Zr]
• InChI: InChI=1S/C23H38Cl2O2Si2.Zr/c1-23(2,19-9-11-21(24)17(19)13-15-26-28(3,4)5)20-10-12-22(25)18(20)14-16-27-29(6,7)8;/h9-10H,11-16H2,1-8H3
• InChIKey: NXNYABJBTDIMSB-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.86
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

The IUPAC name of 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (CID 87936825) is 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.

What is the SMILES notation for 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

The canonical SMILES for 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is CC(C)(C1=CCC(Cl)=C1CCO[Si](C)(C)C)C1=CCC(Cl)=C1CCO[Si](C)(C)C.[Zr].

What is the InChIKey of 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

The InChIKey is NXNYABJBTDIMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38Cl2O2Si2.Zr/c1-23(2,19-9-11-21(24)17(19)13-15-26-28(3,4)5)20-10-12-22(25)18(20)14-16-27-29(6,7)8;/h9-10H,11-16H2,1-8H3;.

What are the key properties of 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium has a molecular weight of 564.86 g/mol, XLogP of 8.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).