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

C22H54N2O2Si2Zr — CID 18689454

IUPACbis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C10H24NOSi.2CH3.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H3;/q4*-1;+4
InChIKeyHAMTZMPWCMVQOQ-UHFFFAOYSA-N
MW526.08 g/mol
LogP8.25
Rot. Bonds4

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

bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+) (PubChem CID 18689454) has the molecular formula C22H54N2O2Si2Zr and a molecular weight of 526.08 g/mol. Its IUPAC name is bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+).

Molecular Properties

Compound Namebis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)
PubChem CID18689454
Molecular FormulaC22H54N2O2Si2Zr
Molecular Weight526.08 g/mol
Exact Mass524.28
IUPAC Namebis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C10H24NOSi.2CH3.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H3;/q4*-1;+4
InChIKeyHAMTZMPWCMVQOQ-UHFFFAOYSA-N
XLogP8.25
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.08
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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);carbanide;zirconium(4+)?
The IUPAC name of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+) (CID 18689454) is bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+).
What is the SMILES notation for bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)?
The canonical SMILES for bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+) is CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.CC(C)(C)[N-][Si](C)(C)OC(C)(C)C.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)?
The InChIKey is HAMTZMPWCMVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H24NOSi.2CH3.Zr/c2*1-9(2,3)11-13(7,8)12-10(4,5)6;;;/h2*1-8H3;2*1H3;/q4*-1;+4.
What are the key properties of bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)?
bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+) has a molecular weight of 526.08 g/mol, XLogP of 8.25, 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);carbanide;zirconium(4+) is sourced from PubChem (CID 18689454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).