ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride

C25H29Cl2OSiZr- — CID 87935882

IUPACethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCC1=CC([c-]2ccc3ccccc32)c2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C23H25OSi.C2H4.2ClH.Zr/c1-25(2,3)24-15-14-18-16-23(21-11-7-6-10-20(18)21)22-13-12-17-8-4-5-9-19(17)22;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyYAGARLIKRHQSTO-UHFFFAOYSA-L
MW535.72 g/mol
LogP0.69
Rot. Bonds5

About ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride

ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride (PubChem CID 87935882) has the molecular formula C25H29Cl2OSiZr- and a molecular weight of 535.72 g/mol. Its IUPAC name is ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride.

Molecular Properties

Compound Nameethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride
PubChem CID87935882
Molecular FormulaC25H29Cl2OSiZr-
Molecular Weight535.72 g/mol
Exact Mass533.04
IUPAC Nameethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCC1=CC([c-]2ccc3ccccc32)c2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C23H25OSi.C2H4.2ClH.Zr/c1-25(2,3)24-15-14-18-16-23(21-11-7-6-10-20(18)21)22-13-12-17-8-4-5-9-19(17)22;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyYAGARLIKRHQSTO-UHFFFAOYSA-L
XLogP0.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.72
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride?
The IUPAC name of ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride (CID 87935882) is ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride.
What is the SMILES notation for ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride?
The canonical SMILES for ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride is CC=[Zr+2].C[Si](C)(C)OCCC1=CC([c-]2ccc3ccccc32)c2ccccc21.[Cl-].[Cl-].
What is the InChIKey of ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride?
The InChIKey is YAGARLIKRHQSTO-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H25OSi.C2H4.2ClH.Zr/c1-25(2,3)24-15-14-18-16-23(21-11-7-6-10-20(18)21)22-13-12-17-8-4-5-9-19(17)22;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride?
ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride has a molecular weight of 535.72 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenezirconium(2+);2-(3-inden-1-id-1-yl-3H-inden-1-yl)ethoxy-trimethylsilane;dichloride is sourced from PubChem (CID 87935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).