bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride

C16H26Cl2Si2Zr — CID 57351468

IUPACbis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H13Si.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWEMMAIPANWFXBU-UHFFFAOYSA-L
MW436.69 g/mol
LogP-0.89
Rot. Bonds2

About bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride

bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride (PubChem CID 57351468) has the molecular formula C16H26Cl2Si2Zr and a molecular weight of 436.69 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
PubChem CID57351468
Molecular FormulaC16H26Cl2Si2Zr
Molecular Weight436.69 g/mol
Exact Mass434.00
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C8H13Si.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWEMMAIPANWFXBU-UHFFFAOYSA-L
XLogP-0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride (CID 57351468) is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride is C[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride?
The InChIKey is WEMMAIPANWFXBU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13Si.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride?
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride has a molecular weight of 436.69 g/mol, XLogP of -0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride is sourced from PubChem (CID 57351468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).