carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)

C14H38O4Si2Zr — CID 18689472

IUPACcarbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)
SMILESCC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/2C6H16O2Si.2CH3.Zr/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyPHZFYPSULQVKON-UHFFFAOYSA-N
MW417.85 g/mol
LogP3.89
Rot. Bonds2

About carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)

carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) (PubChem CID 18689472) has the molecular formula C14H38O4Si2Zr and a molecular weight of 417.85 g/mol. Its IUPAC name is carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+).

Molecular Properties

Compound Namecarbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)
PubChem CID18689472
Molecular FormulaC14H38O4Si2Zr
Molecular Weight417.85 g/mol
Exact Mass416.14
IUPAC Namecarbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)
SMILESCC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/2C6H16O2Si.2CH3.Zr/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyPHZFYPSULQVKON-UHFFFAOYSA-N
XLogP3.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The IUPAC name of carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) (CID 18689472) is carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+).
What is the SMILES notation for carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The canonical SMILES for carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) is CC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.[CH3-].[CH3-].[Zr+2].
What is the InChIKey of carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The InChIKey is PHZFYPSULQVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16O2Si.2CH3.Zr/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) has a molecular weight of 417.85 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) is sourced from PubChem (CID 18689472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).