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

C28H38O2Si2Zr — CID 18521314

IUPACbis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)
SMILESC[Si](C)(C)c1cccc(O)c1.C[Si](C)(C)c1cccc(O)c1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-6-4-5-8(10)7-9;2*1-2-4-5-3-1;/h2*4-7,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2
InChIKeyQNVFVFNFGNMSMI-UHFFFAOYSA-N
MW554.01 g/mol
LogP6.48
Rot. Bonds2

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

bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+) (PubChem CID 18521314) has the molecular formula C28H38O2Si2Zr and a molecular weight of 554.01 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)
PubChem CID18521314
Molecular FormulaC28H38O2Si2Zr
Molecular Weight554.01 g/mol
Exact Mass552.15
IUPAC Namebis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)
SMILESC[Si](C)(C)c1cccc(O)c1.C[Si](C)(C)c1cccc(O)c1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-6-4-5-8(10)7-9;2*1-2-4-5-3-1;/h2*4-7,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2
InChIKeyQNVFVFNFGNMSMI-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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Related Compounds

4-(Trimethylsilyl)phenol
CID 25732
4-Triethylsilylphenol
CID 71720369
Silane, dimethyldiphenoxy-
CID 76972
4-[Diethyl-(4-hydroxyphenyl)silyl]phenol
CID 23349396
4-[Ethyl(dimethyl)silyl]phenol
CID 59866972
Estrogen receptor-IN-1
CID 12582127
4-[Dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
CID 71712305
Bis(4-hydroxyphenyl)dimethylsilane
CID 23496528
2-(Trimethylsilyl)phenol
CID 262858
[4-[(4-Hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate
CID 90670783
Bis(o-oxyphenyl)dimethylsilane
CID 14365153
Ethenyl(methyl)diphenoxysilane
CID 53769665

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+) (CID 18521314) is bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+) is C[Si](C)(C)c1cccc(O)c1.C[Si](C)(C)c1cccc(O)c1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(3-trimethylsilylphenol);zirconium(2+)?
The InChIKey is QNVFVFNFGNMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14OSi.2C5H5.Zr/c2*1-11(2,3)9-6-4-5-8(10)7-9;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(3-trimethylsilylphenol);zirconium(2+)?
bis(cyclopenta-1,3-diene);bis(3-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(3-trimethylsilylphenol);zirconium(2+) is sourced from PubChem (CID 18521314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).