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

C12H34O4Si2Zr — CID 18689455

IUPAChydride;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.[H-].[H-].[Zr+2]
InChIInChI=1S/2C6H16O2Si.Zr.2H/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;;;/q;;+2;2*-1
InChIKeySWCWPRXFYBLWAM-UHFFFAOYSA-N
MW389.80 g/mol
LogP3.21
Rot. Bonds2

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

hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) (PubChem CID 18689455) has the molecular formula C12H34O4Si2Zr and a molecular weight of 389.80 g/mol. Its IUPAC name is hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+).

Molecular Properties

Compound Namehydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)
PubChem CID18689455
Molecular FormulaC12H34O4Si2Zr
Molecular Weight389.80 g/mol
Exact Mass388.10
IUPAC Namehydride;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.[H-].[H-].[Zr+2]
InChIInChI=1S/2C6H16O2Si.Zr.2H/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;;;/q;;+2;2*-1
InChIKeySWCWPRXFYBLWAM-UHFFFAOYSA-N
XLogP3.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The IUPAC name of hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) (CID 18689455) is hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+).
What is the SMILES notation for hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The canonical SMILES for hydride;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.[H-].[H-].[Zr+2].
What is the InChIKey of hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
The InChIKey is SWCWPRXFYBLWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16O2Si.Zr.2H/c2*1-6(2,3)8-9(4,5)7;;;/h2*7H,1-5H3;;;/q;;+2;2*-1.
What are the key properties of hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+)?
hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) has a molecular weight of 389.80 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;bis(hydroxy-dimethyl-[(2-methylpropan-2-yl)oxy]silane);zirconium(2+) is sourced from PubChem (CID 18689455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).