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

C22H36Cl2O2Si2Zr — CID 87936574

IUPAC1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
SMILESCC(O[Si](C)(C)C)C1=CCC(Cl)=C1C(C)C1=C(Cl)CC=C1C(C)O[Si](C)(C)C.[Zr]
InChIInChI=1S/C22H36Cl2O2Si2.Zr/c1-14(21-17(10-12-19(21)23)15(2)25-27(4,5)6)22-18(11-13-20(22)24)16(3)26-28(7,8)9;/h10-11,14-16H,12-13H2,1-9H3;
InChIKeyAMLCWWZPAGECRA-UHFFFAOYSA-N
MW550.83 g/mol
LogP7.75
Rot. Bonds8

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

1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (PubChem CID 87936574) has the molecular formula C22H36Cl2O2Si2Zr and a molecular weight of 550.83 g/mol. Its IUPAC name is 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
PubChem CID87936574
Molecular FormulaC22H36Cl2O2Si2Zr
Molecular Weight550.83 g/mol
Exact Mass548.07
IUPAC Name1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium
SMILESCC(O[Si](C)(C)C)C1=CCC(Cl)=C1C(C)C1=C(Cl)CC=C1C(C)O[Si](C)(C)C.[Zr]
InChIInChI=1S/C22H36Cl2O2Si2.Zr/c1-14(21-17(10-12-19(21)23)15(2)25-27(4,5)6)22-18(11-13-20(22)24)16(3)26-28(7,8)9;/h10-11,14-16H,12-13H2,1-9H3;
InChIKeyAMLCWWZPAGECRA-UHFFFAOYSA-N
XLogP7.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The IUPAC name of 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium (CID 87936574) is 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium.
What is the SMILES notation for 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The canonical SMILES for 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is CC(O[Si](C)(C)C)C1=CCC(Cl)=C1C(C)C1=C(Cl)CC=C1C(C)O[Si](C)(C)C.[Zr].
What is the InChIKey of 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
The InChIKey is AMLCWWZPAGECRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Cl2O2Si2.Zr/c1-14(21-17(10-12-19(21)23)15(2)25-27(4,5)6)22-18(11-13-20(22)24)16(3)26-28(7,8)9;/h10-11,14-16H,12-13H2,1-9H3;.
What are the key properties of 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium?
1-[4-chloro-5-[1-[2-chloro-5-(1-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, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-[1-[2-chloro-5-(1-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]ethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).