bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide

C26H48Br2N2Si2Zr — CID 87829584

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide (PubChem CID 87829584) has the molecular formula C26H48Br2N2Si2Zr and a molecular weight of 695.89 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide.

Molecular Properties

• Compound Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide
• PubChem CID: 87829584
• Molecular Formula: C26H48Br2N2Si2Zr
• Molecular Weight: 695.89 g/mol
• Exact Mass: 692.08
• IUPAC Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide
• SMILES: CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.[Br-].[Br-].[Zr+4]
• InChI: InChI=1S/2C13H24NSi.2BrH.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;;;/h2*7,9,11-12H,8H2,1-6H3;2*1H;/q2*-1;;;+4/p-2
• InChIKey: RMZVTSWMFIAEPZ-UHFFFAOYSA-L
• XLogP: 1.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	695.89
LogP ≤ 5	1.08
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'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide?

The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide (CID 87829584) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide.

What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide?

The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide is CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.[Br-].[Br-].[Zr+4].

What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide?

The InChIKey is RMZVTSWMFIAEPZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H24NSi.2BrH.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;;;/h2*7,9,11-12H,8H2,1-6H3;2*1H;/q2*-1;;;+4/p-2.

What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide?

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide has a molecular weight of 695.89 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(4+);dibromide is sourced from PubChem (CID 87829584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).