bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride

C20H48Cl2N2O2Si2Zr — CID 172823291

IUPACbis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride
SMILESCC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H24NOSi.2ClH.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUNANBVHLYMVEMM-UHFFFAOYSA-L
MW566.92 g/mol
LogP1.36
Rot. Bonds4

About bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride

bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride (PubChem CID 172823291) has the molecular formula C20H48Cl2N2O2Si2Zr and a molecular weight of 566.92 g/mol. Its IUPAC name is bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride
PubChem CID172823291
Molecular FormulaC20H48Cl2N2O2Si2Zr
Molecular Weight566.92 g/mol
Exact Mass564.17
IUPAC Namebis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride
SMILESCC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H24NOSi.2ClH.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUNANBVHLYMVEMM-UHFFFAOYSA-L
XLogP1.36
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.92
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride?
The IUPAC name of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride (CID 172823291) is bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride.
What is the SMILES notation for bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride?
The canonical SMILES for bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride is CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride?
The InChIKey is UNANBVHLYMVEMM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H24NOSi.2ClH.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride?
bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride has a molecular weight of 566.92 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);zirconium(4+);dichloride is sourced from PubChem (CID 172823291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).