2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride

C15H23Cl2OSiZr- — CID 87936013

About 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride

2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride (PubChem CID 87936013) has the molecular formula C15H23Cl2OSiZr- and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride.

Molecular Properties

• Compound Name: 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride
• PubChem CID: 87936013
• Molecular Formula: C15H23Cl2OSiZr-
• Molecular Weight: 409.56 g/mol
• Exact Mass: 406.99
• IUPAC Name: 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride
• SMILES: C[Si](C)(C)OCCC1=CCC(C2=[C-]CC=C2)=C1.Cl.Cl.[Zr]
• InChI: InChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-11-10-13-8-9-15(12-13)14-6-4-5-7-14;;;/h4,6,8,12H,5,9-11H2,1-3H3;2*1H;/q-1
• InChIKey: KHZCHDIHMBDHLA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride?

The IUPAC name of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride (CID 87936013) is 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride.

What is the SMILES notation for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride?

The canonical SMILES for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride is C[Si](C)(C)OCCC1=CCC(C2=[C-]CC=C2)=C1.Cl.Cl.[Zr].

What is the InChIKey of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride?

The InChIKey is KHZCHDIHMBDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-11-10-13-8-9-15(12-13)14-6-4-5-7-14;;;/h4,6,8,12H,5,9-11H2,1-3H3;2*1H;/q-1;;;.

What are the key properties of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride?

2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride has a molecular weight of 409.56 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium;dihydrochloride is sourced from PubChem (CID 87936013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).