Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride

C20H26Cl2SiZr — CID 102600865

IUPAC—
SMILESC[Si](C)([C]1[CH][CH][C]2CCCC[C]21)[C]1[CH][CH][C]2CCCC[C]21.Cl[Zr]Cl
InChIInChI=1S/C20H26Si.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;/h11-14H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyJIDPAXDFEUYEHT-UHFFFAOYSA-L
MW456.64 g/mol
LogP6.59
Rot. Bonds2

About Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride

Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride (PubChem CID 102600865) has the molecular formula C20H26Cl2SiZr and a molecular weight of 456.64 g/mol.

Molecular Properties

Compound NameRac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride
PubChem CID102600865
Molecular FormulaC20H26Cl2SiZr
Molecular Weight456.64 g/mol
Exact Mass454.02
IUPAC Name—
SMILESC[Si](C)([C]1[CH][CH][C]2CCCC[C]21)[C]1[CH][CH][C]2CCCC[C]21.Cl[Zr]Cl
InChIInChI=1S/C20H26Si.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;/h11-14H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyJIDPAXDFEUYEHT-UHFFFAOYSA-L
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.64
LogP ≤ 56.59
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 Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride?
The IUPAC name of Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride (CID 102600865) is not available.
What is the SMILES notation for Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride?
The canonical SMILES for Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride is C[Si](C)([C]1[CH][CH][C]2CCCC[C]21)[C]1[CH][CH][C]2CCCC[C]21.Cl[Zr]Cl.
What is the InChIKey of Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride?
The InChIKey is JIDPAXDFEUYEHT-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H26Si.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;/h11-14H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride?
Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride has a molecular weight of 456.64 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(IV) dichloride is sourced from PubChem (CID 102600865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).