N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride

C21H36Cl2NOSi3Zr — CID 87935996

About N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride

N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (PubChem CID 87935996) has the molecular formula C21H36Cl2NOSi3Zr and a molecular weight of 564.91 g/mol. Its IUPAC name is N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.

Molecular Properties

• Compound Name: N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
• PubChem CID: 87935996
• Molecular Formula: C21H36Cl2NOSi3Zr
• Molecular Weight: 564.91 g/mol
• Exact Mass: 562.05
• IUPAC Name: N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
• SMILES: CC[Si](C)(C)[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3]
• InChI: InChI=1S/C21H36NOSi3.2ClH.Zr/c1-11-25(8,9)26(10)17-14-15-12-13-16(23-24(5,6)7)19(18(15)20(17)26)22-21(2,3)4;;;/h12-14,22H,11H2,1-10H3;2*1H;/q-1;;;+3/p-2
• InChIKey: IUSIJFYVLGVMDY-UHFFFAOYSA-L
• XLogP: -0.70
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.91
LogP ≤ 5	-0.70
H-Bond Donors ≤ 5	1
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 N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?

The IUPAC name of N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (CID 87935996) is N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.

What is the SMILES notation for N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?

The canonical SMILES for N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is CC[Si](C)(C)[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3].

What is the InChIKey of N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?

The InChIKey is IUSIJFYVLGVMDY-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H36NOSi3.2ClH.Zr/c1-11-25(8,9)26(10)17-14-15-12-13-16(23-24(5,6)7)19(18(15)20(17)26)22-21(2,3)4;;;/h12-14,22H,11H2,1-10H3;2*1H;/q-1;;;+3/p-2.

What are the key properties of N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?

N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride has a molecular weight of 564.91 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is sourced from PubChem (CID 87935996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).