2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium

C22H36Cl2O2Si2Zr — CID 87936342

IUPAC2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
SMILESCC(C1=CCC(Cl)=C1CCO[Si](C)(C)C)C1=CCC(Cl)=C1CCO[Si](C)(C)C.[Zr]
InChIInChI=1S/C22H36Cl2O2Si2.Zr/c1-16(17-8-10-21(23)19(17)12-14-25-27(2,3)4)18-9-11-22(24)20(18)13-15-26-28(5,6)7;/h8-9,16H,10-15H2,1-7H3;
InChIKeyOPENVKFVKUHRKY-UHFFFAOYSA-N
MW550.83 g/mol
LogP7.75
Rot. Bonds10

About 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium

2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (PubChem CID 87936342) has the molecular formula C22H36Cl2O2Si2Zr and a molecular weight of 550.83 g/mol. Its IUPAC name is 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
PubChem CID87936342
Molecular FormulaC22H36Cl2O2Si2Zr
Molecular Weight550.83 g/mol
Exact Mass548.07
IUPAC Name2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
SMILESCC(C1=CCC(Cl)=C1CCO[Si](C)(C)C)C1=CCC(Cl)=C1CCO[Si](C)(C)C.[Zr]
InChIInChI=1S/C22H36Cl2O2Si2.Zr/c1-16(17-8-10-21(23)19(17)12-14-25-27(2,3)4)18-9-11-22(24)20(18)13-15-26-28(5,6)7;/h8-9,16H,10-15H2,1-7H3;
InChIKeyOPENVKFVKUHRKY-UHFFFAOYSA-N
XLogP7.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The IUPAC name of 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (CID 87936342) is 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.
What is the SMILES notation for 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The canonical SMILES for 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is CC(C1=CCC(Cl)=C1CCO[Si](C)(C)C)C1=CCC(Cl)=C1CCO[Si](C)(C)C.[Zr].
What is the InChIKey of 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The InChIKey is OPENVKFVKUHRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Cl2O2Si2.Zr/c1-16(17-8-10-21(23)19(17)12-14-25-27(2,3)4)18-9-11-22(24)20(18)13-15-26-28(5,6)7;/h8-9,16H,10-15H2,1-7H3;.
What are the key properties of 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium has a molecular weight of 550.83 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[1-[4-chloro-5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).