bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride

C18H32Cl2HfN2Si2 — CID 87839436

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride (PubChem CID 87839436) has the molecular formula C18H32Cl2HfN2Si2 and a molecular weight of 582.04 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride.

Molecular Properties

• Compound Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride
• PubChem CID: 87839436
• Molecular Formula: C18H32Cl2HfN2Si2
• Molecular Weight: 582.04 g/mol
• Exact Mass: 582.09
• IUPAC Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride
• SMILES: CN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4]
• InChI: InChI=1S/2C9H16NSi.2ClH.Hf/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
• InChIKey: WUPOZLGFBMELGE-UHFFFAOYSA-L
• XLogP: -2.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.04
LogP ≤ 5	-2.03
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-methylmethanamine);hafnium(4+);dichloride?

The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride (CID 87839436) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride.

What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride?

The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride is CN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4].

What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride?

The InChIKey is WUPOZLGFBMELGE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H16NSi.2ClH.Hf/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.

What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride?

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride has a molecular weight of 582.04 g/mol, XLogP of -2.03, 4 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-methylmethanamine);hafnium(4+);dichloride is sourced from PubChem (CID 87839436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).