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

C23H38Cl2O2Si2Zr — CID 87936088

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

1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (PubChem CID 87936088) has the molecular formula C23H38Cl2O2Si2Zr and a molecular weight of 564.86 g/mol. Its IUPAC name is 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.

Molecular Properties

• Compound Name: 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
• PubChem CID: 87936088
• Molecular Formula: C23H38Cl2O2Si2Zr
• Molecular Weight: 564.86 g/mol
• Exact Mass: 562.08
• IUPAC Name: 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
• SMILES: CC(O[Si](C)(C)C)C1=CCC(Cl)=C1C(C)(C)C1=C(Cl)CC=C1C(C)O[Si](C)(C)C.[Zr]
• InChI: InChI=1S/C23H38Cl2O2Si2.Zr/c1-15(26-28(5,6)7)17-11-13-19(24)21(17)23(3,4)22-18(12-14-20(22)25)16(2)27-29(8,9)10;/h11-12,15-16H,13-14H2,1-10H3
• InChIKey: JRCMEMGRSNOBSO-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• 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 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

The IUPAC name of 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (CID 87936088) is 1-[4-chloro-5-[2-[2-chloro-5-(1-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 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?

The canonical SMILES for 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is CC(O[Si](C)(C)C)C1=CCC(Cl)=C1C(C)(C)C1=C(Cl)CC=C1C(C)O[Si](C)(C)C.[Zr].

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

The InChIKey is JRCMEMGRSNOBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38Cl2O2Si2.Zr/c1-15(26-28(5,6)7)17-11-13-19(24)21(17)23(3,4)22-18(12-14-20(22)25)16(2)27-29(8,9)10;/h11-12,15-16H,13-14H2,1-10H3;.

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

1-[4-chloro-5-[2-[2-chloro-5-(1-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, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-5-[2-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).