[4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium

C16H22Cl2O2SiZr — CID 87936051

About [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium

[4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium (PubChem CID 87936051) has the molecular formula C16H22Cl2O2SiZr and a molecular weight of 436.57 g/mol. Its IUPAC name is [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium.

Molecular Properties

• Compound Name: [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium
• PubChem CID: 87936051
• Molecular Formula: C16H22Cl2O2SiZr
• Molecular Weight: 436.57 g/mol
• Exact Mass: 433.98
• IUPAC Name: [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium
• SMILES: CC1=CCC(Cl)=C1CC1=C(Cl)CC=C1OCO[Si](C)(C)C.[Zr]
• InChI: InChI=1S/C16H22Cl2O2Si.Zr/c1-11-5-6-14(17)12(11)9-13-15(18)7-8-16(13)19-10-20-21(2,3)4;/h5,8H,6-7,9-10H2,1-4H3
• InChIKey: USHNAHTVPGLQFC-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.57
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium (CID 87936051) is [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium.

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

The canonical SMILES for [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium is CC1=CCC(Cl)=C1CC1=C(Cl)CC=C1OCO[Si](C)(C)C.[Zr].

What is the InChIKey of [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium?

The InChIKey is USHNAHTVPGLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O2Si.Zr/c1-11-5-6-14(17)12(11)9-13-15(18)7-8-16(13)19-10-20-21(2,3)4;/h5,8H,6-7,9-10H2,1-4H3;.

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

[4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium has a molecular weight of 436.57 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-5-[(2-chloro-5-methylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).