[2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride

C18H21Cl2O2SiZr — CID 87936084

About [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride

[2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 87936084) has the molecular formula C18H21Cl2O2SiZr and a molecular weight of 459.58 g/mol. Its IUPAC name is [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

• Compound Name: [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride
• PubChem CID: 87936084
• Molecular Formula: C18H21Cl2O2SiZr
• Molecular Weight: 459.58 g/mol
• Exact Mass: 456.97
• IUPAC Name: [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride
• SMILES: C[Si](C)(C)OCOC1=C(c2cc3ccccc3[cH-]2)CC=C1.[Cl-].[Cl-].[Zr+3]
• InChI: InChI=1S/C18H21O2Si.2ClH.Zr/c1-21(2,3)20-13-19-18-10-6-9-17(18)16-11-14-7-4-5-8-15(14)12-16;;;/h4-8,10-12H,9,13H2,1-3H3;2*1H;/q-1;;;+3/p-2
• InChIKey: BNDBDJYVLLEOQS-UHFFFAOYSA-L
• XLogP: -0.94
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride?

The IUPAC name of [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride (CID 87936084) is [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride.

What is the SMILES notation for [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride?

The canonical SMILES for [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCOC1=C(c2cc3ccccc3[cH-]2)CC=C1.[Cl-].[Cl-].[Zr+3].

What is the InChIKey of [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride?

The InChIKey is BNDBDJYVLLEOQS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H21O2Si.2ClH.Zr/c1-21(2,3)20-13-19-18-10-6-9-17(18)16-11-14-7-4-5-8-15(14)12-16;;;/h4-8,10-12H,9,13H2,1-3H3;2*1H;/q-1;;;+3/p-2.

What are the key properties of [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride?

[2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 459.58 g/mol, XLogP of -0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87936084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).