1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium

C25H42Cl2O2Si2Zr — CID 87936773

IUPAC1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium
SMILESCC(CC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Zr]
InChIInChI=1S/C25H42Cl2O2Si2.Zr/c1-17(28-30(5,6)7)15-19-21(11-13-23(19)26)25(3,4)22-12-14-24(27)20(22)16-18(2)29-31(8,9)10;/h11-12,17-18H,13-16H2,1-10H3;
InChIKeyTXGCXNMNRYWFIP-UHFFFAOYSA-N
MW592.91 g/mol
LogP8.92
Rot. Bonds10

About 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium

1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium (PubChem CID 87936773) has the molecular formula C25H42Cl2O2Si2Zr and a molecular weight of 592.91 g/mol. Its IUPAC name is 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium
PubChem CID87936773
Molecular FormulaC25H42Cl2O2Si2Zr
Molecular Weight592.91 g/mol
Exact Mass590.11
IUPAC Name1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium
SMILESCC(CC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Zr]
InChIInChI=1S/C25H42Cl2O2Si2.Zr/c1-17(28-30(5,6)7)15-19-21(11-13-23(19)26)25(3,4)22-12-14-24(27)20(22)16-18(2)29-31(8,9)10;/h11-12,17-18H,13-16H2,1-10H3;
InChIKeyTXGCXNMNRYWFIP-UHFFFAOYSA-N
XLogP8.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.91
LogP ≤ 58.92
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-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium?
The IUPAC name of 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium (CID 87936773) is 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium.
What is the SMILES notation for 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium?
The canonical SMILES for 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium is CC(CC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Zr].
What is the InChIKey of 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium?
The InChIKey is TXGCXNMNRYWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42Cl2O2Si2.Zr/c1-17(28-30(5,6)7)15-19-21(11-13-23(19)26)25(3,4)22-12-14-24(27)20(22)16-18(2)29-31(8,9)10;/h11-12,17-18H,13-16H2,1-10H3;.
What are the key properties of 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium?
1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium has a molecular weight of 592.91 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[2-[4-chloro-5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).