3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium

C24H40Cl2O2Si2Zr — CID 87936553

About 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium

3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium (PubChem CID 87936553) has the molecular formula C24H40Cl2O2Si2Zr and a molecular weight of 578.88 g/mol. Its IUPAC name is 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium.

Molecular Properties

• Compound Name: 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium
• PubChem CID: 87936553
• Molecular Formula: C24H40Cl2O2Si2Zr
• Molecular Weight: 578.88 g/mol
• Exact Mass: 576.10
• IUPAC Name: 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium
• SMILES: CC(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.[Zr]
• InChI: InChI=1S/C24H40Cl2O2Si2.Zr/c1-18(19-12-14-23(25)21(19)10-8-16-27-29(2,3)4)20-13-15-24(26)22(20)11-9-17-28-30(5,6)7;/h12-13,18H,8-11,14-17H2,1-7H3
• InChIKey: IZQMZEDYCKEBGS-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.88
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?

The IUPAC name of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium (CID 87936553) is 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium.

What is the SMILES notation for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?

The canonical SMILES for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium is CC(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.[Zr].

What is the InChIKey of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?

The InChIKey is IZQMZEDYCKEBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Cl2O2Si2.Zr/c1-18(19-12-14-23(25)21(19)10-8-16-27-29(2,3)4)20-13-15-24(26)22(20)11-9-17-28-30(5,6)7;/h12-13,18H,8-11,14-17H2,1-7H3;.

What are the key properties of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?

3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium has a molecular weight of 578.88 g/mol, XLogP of 8.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).