bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)

C28H38O2Si2Zr — CID 18521234

IUPACbis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)
SMILESC[Si](C)(C)c1ccccc1O.C[Si](C)(C)c1ccccc1O.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-7-5-4-6-8(9)10;2*1-2-4-5-3-1;/h2*4-7,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2
InChIKeyWVTHQGRMSOBDAX-UHFFFAOYSA-N
MW554.01 g/mol
LogP6.48
Rot. Bonds2

About bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)

bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+) (PubChem CID 18521234) has the molecular formula C28H38O2Si2Zr and a molecular weight of 554.01 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)
PubChem CID18521234
Molecular FormulaC28H38O2Si2Zr
Molecular Weight554.01 g/mol
Exact Mass552.15
IUPAC Namebis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)
SMILESC[Si](C)(C)c1ccccc1O.C[Si](C)(C)c1ccccc1O.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-7-5-4-6-8(9)10;2*1-2-4-5-3-1;/h2*4-7,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2
InChIKeyWVTHQGRMSOBDAX-UHFFFAOYSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.01
LogP ≤ 56.48
H-Bond Donors ≤ 52
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-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+) (CID 18521234) is bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+) is C[Si](C)(C)c1ccccc1O.C[Si](C)(C)c1ccccc1O.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)?
The InChIKey is WVTHQGRMSOBDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-7-5-4-6-8(9)10;2*1-2-4-5-3-1;/h2*4-7,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+)?
bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+) has a molecular weight of 554.01 g/mol, XLogP of 6.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(2-trimethylsilylphenol);zirconium(2+) is sourced from PubChem (CID 18521234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).