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

C24H40Cl2O2Si2Zr — CID 87935977

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

1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium (PubChem CID 87935977) has the molecular formula C24H40Cl2O2Si2Zr and a molecular weight of 578.88 g/mol. Its IUPAC name is 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium.

Molecular Properties

• Compound Name: 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium
• PubChem CID: 87935977
• Molecular Formula: C24H40Cl2O2Si2Zr
• Molecular Weight: 578.88 g/mol
• Exact Mass: 576.10
• IUPAC Name: 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium
• SMILES: CC(CC1=C(Cl)CC=C1C(C)C1=CCC(Cl)=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Zr]
• InChI: InChI=1S/C24H40Cl2O2Si2.Zr/c1-16(27-29(4,5)6)14-21-19(10-12-23(21)25)18(3)20-11-13-24(26)22(20)15-17(2)28-30(7,8)9;/h10-11,16-18H,12-15H2,1-9H3
• InChIKey: NJXIWUNFZHAAAI-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• 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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium (CID 87935977) is 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium.

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

The canonical SMILES for 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium is CC(CC1=C(Cl)CC=C1C(C)C1=CCC(Cl)=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Zr].

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

The InChIKey is NJXIWUNFZHAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Cl2O2Si2.Zr/c1-16(27-29(4,5)6)14-21-19(10-12-23(21)25)18(3)20-11-13-24(26)22(20)15-17(2)28-30(7,8)9;/h10-11,16-18H,12-15H2,1-9H3;.

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

1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium has a molecular weight of 578.88 g/mol, XLogP of 8.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium is sourced from PubChem (CID 87935977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).