Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride

C15H27Cl2NSiZr- — CID 90469832

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[N-]C(C)(C)C)[C]1C.Cl[Zr]Cl
InChIInChI=1S/C15H27NSi.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2
InChIKeyZGCOLZUAVSXNCB-UHFFFAOYSA-L
MW411.60 g/mol
LogP6.25
Rot. Bonds2

About Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride

Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride (PubChem CID 90469832) has the molecular formula C15H27Cl2NSiZr- and a molecular weight of 411.60 g/mol.

Molecular Properties

Compound NameDimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride
PubChem CID90469832
Molecular FormulaC15H27Cl2NSiZr-
Molecular Weight411.60 g/mol
Exact Mass409.03
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[N-]C(C)(C)C)[C]1C.Cl[Zr]Cl
InChIInChI=1S/C15H27NSi.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2
InChIKeyZGCOLZUAVSXNCB-UHFFFAOYSA-L
XLogP6.25
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.60
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride?
The IUPAC name of Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride (CID 90469832) is not available.
What is the SMILES notation for Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride?
The canonical SMILES for Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride is C[C]1[C](C)[C](C)[C]([Si](C)(C)[N-]C(C)(C)C)[C]1C.Cl[Zr]Cl.
What is the InChIKey of Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride?
The InChIKey is ZGCOLZUAVSXNCB-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H27NSi.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride?
Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride has a molecular weight of 411.60 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethylsilylene(t-butylamido)(tetramethylcyclopentadienyl)zirconium(IV) Dichloride is sourced from PubChem (CID 90469832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).