bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride

C22H36F2N2Si2Zr — CID 159425965

IUPACbis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride
SMILESC[Si](C)([c-]1cccc1)N1CCCC1.C[Si](C)([c-]1cccc1)N1CCCC1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C11H18NSi.2FH.Zr/c2*1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h2*3-4,7-8H,5-6,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUYDZXMLQLJZVPY-UHFFFAOYSA-L
MW513.94 g/mol
LogP-2.17
Rot. Bonds4

About bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride

bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride (PubChem CID 159425965) has the molecular formula C22H36F2N2Si2Zr and a molecular weight of 513.94 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride
PubChem CID159425965
Molecular FormulaC22H36F2N2Si2Zr
Molecular Weight513.94 g/mol
Exact Mass512.14
IUPAC Namebis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride
SMILESC[Si](C)([c-]1cccc1)N1CCCC1.C[Si](C)([c-]1cccc1)N1CCCC1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C11H18NSi.2FH.Zr/c2*1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h2*3-4,7-8H,5-6,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUYDZXMLQLJZVPY-UHFFFAOYSA-L
XLogP-2.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.94
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride?
The IUPAC name of bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride (CID 159425965) is bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride.
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride is C[Si](C)([c-]1cccc1)N1CCCC1.C[Si](C)([c-]1cccc1)N1CCCC1.[F-].[F-].[Zr+4].
What is the InChIKey of bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride?
The InChIKey is UYDZXMLQLJZVPY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H18NSi.2FH.Zr/c2*1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h2*3-4,7-8H,5-6,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride?
bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride has a molecular weight of 513.94 g/mol, XLogP of -2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-yl-dimethyl-pyrrolidin-1-ylsilane);zirconium(4+);difluoride is sourced from PubChem (CID 159425965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).