3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride

C26H32Cl2OSiZr — CID 18622712

IUPAC3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
SMILESCCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C26H32OSi.2ClH.Zr/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25;;;/h6-17,24-25H,5,18-19H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyVFFVPXQQHDOCHY-UHFFFAOYSA-L
MW550.76 g/mol
LogP1.25
Rot. Bonds7

About 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride

3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride (PubChem CID 18622712) has the molecular formula C26H32Cl2OSiZr and a molecular weight of 550.76 g/mol. Its IUPAC name is 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
PubChem CID18622712
Molecular FormulaC26H32Cl2OSiZr
Molecular Weight550.76 g/mol
Exact Mass548.06
IUPAC Name3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
SMILESCCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C26H32OSi.2ClH.Zr/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25;;;/h6-17,24-25H,5,18-19H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyVFFVPXQQHDOCHY-UHFFFAOYSA-L
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.76
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The IUPAC name of 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride (CID 18622712) is 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The canonical SMILES for 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride is CCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The InChIKey is VFFVPXQQHDOCHY-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H32OSi.2ClH.Zr/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25;;;/h6-17,24-25H,5,18-19H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride has a molecular weight of 550.76 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1H-inden-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 18622712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).