trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride

C21H34Cl2O4Si2Zr — CID 87936025

IUPACtrimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride
SMILESCC(C)(C1=CC[C-]=C1OCO[Si](C)(C)C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H34O4Si2.2ClH.Zr/c1-21(2,17-11-9-13-19(17)22-15-24-26(3,4)5)18-12-10-14-20(18)23-16-25-27(6,7)8;;;/h11-12H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyBGCOFAMNFTWQBL-UHFFFAOYSA-L
MW568.80 g/mol
LogP-0.30
Rot. Bonds10

About trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride

trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride (PubChem CID 87936025) has the molecular formula C21H34Cl2O4Si2Zr and a molecular weight of 568.80 g/mol. Its IUPAC name is trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride.

Molecular Properties

Compound Nametrimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride
PubChem CID87936025
Molecular FormulaC21H34Cl2O4Si2Zr
Molecular Weight568.80 g/mol
Exact Mass566.04
IUPAC Nametrimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride
SMILESCC(C)(C1=CC[C-]=C1OCO[Si](C)(C)C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H34O4Si2.2ClH.Zr/c1-21(2,17-11-9-13-19(17)22-15-24-26(3,4)5)18-12-10-14-20(18)23-16-25-27(6,7)8;;;/h11-12H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyBGCOFAMNFTWQBL-UHFFFAOYSA-L
XLogP-0.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.80
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride?
The IUPAC name of trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride (CID 87936025) is trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride.
What is the SMILES notation for trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride?
The canonical SMILES for trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride is CC(C)(C1=CC[C-]=C1OCO[Si](C)(C)C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride?
The InChIKey is BGCOFAMNFTWQBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H34O4Si2.2ClH.Zr/c1-21(2,17-11-9-13-19(17)22-15-24-26(3,4)5)18-12-10-14-20(18)23-16-25-27(6,7)8;;;/h11-12H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride?
trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride has a molecular weight of 568.80 g/mol, XLogP of -0.30, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[5-[2-[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87936025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).