3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium

C25H42Cl2O2Si2Zr — CID 87936042

IUPAC3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium
SMILESCC(C)(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.[Zr]
InChIInChI=1S/C25H42Cl2O2Si2.Zr/c1-25(2,21-13-15-23(26)19(21)11-9-17-28-30(3,4)5)22-14-16-24(27)20(22)12-10-18-29-31(6,7)8;/h13-14H,9-12,15-18H2,1-8H3;
InChIKeyNZSCHAWUHDQPFV-UHFFFAOYSA-N
MW592.91 g/mol
LogP8.92
Rot. Bonds12

About 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium

3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium (PubChem CID 87936042) has the molecular formula C25H42Cl2O2Si2Zr and a molecular weight of 592.91 g/mol. Its IUPAC name is 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium
PubChem CID87936042
Molecular FormulaC25H42Cl2O2Si2Zr
Molecular Weight592.91 g/mol
Exact Mass590.11
IUPAC Name3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium
SMILESCC(C)(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.[Zr]
InChIInChI=1S/C25H42Cl2O2Si2.Zr/c1-25(2,21-13-15-23(26)19(21)11-9-17-28-30(3,4)5)22-14-16-24(27)20(22)12-10-18-29-31(6,7)8;/h13-14H,9-12,15-18H2,1-8H3;
InChIKeyNZSCHAWUHDQPFV-UHFFFAOYSA-N
XLogP8.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?
The IUPAC name of 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium (CID 87936042) is 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium.
What is the SMILES notation for 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?
The canonical SMILES for 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium is CC(C)(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.[Zr].
What is the InChIKey of 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?
The InChIKey is NZSCHAWUHDQPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42Cl2O2Si2.Zr/c1-25(2,21-13-15-23(26)19(21)11-9-17-28-30(3,4)5)22-14-16-24(27)20(22)12-10-18-29-31(6,7)8;/h13-14H,9-12,15-18H2,1-8H3;.
What are the key properties of 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium?
3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium has a molecular weight of 592.91 g/mol, XLogP of 8.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[2-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).