[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride

C35H52Cl2O2Si2Zr — CID 18622604

IUPAC[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C35H52O2Si2.2ClH.Zr/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34;;;/h13-24,33-34H,7-12,25-28H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyLKEIQJOROYQXNM-UHFFFAOYSA-L
MW723.10 g/mol
LogP4.42
Rot. Bonds16

About [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride

[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride (PubChem CID 18622604) has the molecular formula C35H52Cl2O2Si2Zr and a molecular weight of 723.10 g/mol. Its IUPAC name is [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
PubChem CID18622604
Molecular FormulaC35H52Cl2O2Si2Zr
Molecular Weight723.10 g/mol
Exact Mass720.19
IUPAC Name[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C35H52O2Si2.2ClH.Zr/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34;;;/h13-24,33-34H,7-12,25-28H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyLKEIQJOROYQXNM-UHFFFAOYSA-L
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500723.10
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 17894162
CID 17894162
CID 18314654
CID 18314654
CID 18314678
CID 18314678
CID 18622601
CID 18622601
CID 18622602
CID 18622602
CID 18622603
CID 18622603
CID 18622609
CID 18622609
CID 18622610
CID 18622610
CID 18622621
CID 18622621
CID 18622628
CID 18622628
CID 18622629
CID 18622629
CID 18622638
CID 18622638

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride?
The IUPAC name of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride (CID 18622604) is [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride?
The canonical SMILES for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride is CC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride?
The InChIKey is LKEIQJOROYQXNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C35H52O2Si2.2ClH.Zr/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34;;;/h13-24,33-34H,7-12,25-28H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride?
[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride has a molecular weight of 723.10 g/mol, XLogP of 4.42, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 18622604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).