4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride

C21H34Cl2OSiZr — CID 18622685

IUPAC4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C21H34OSi.2ClH.Zr/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20;;;/h8-11,13,15H,5-7,12,14,16-18H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyCWIUEUBAYHIBBG-UHFFFAOYSA-L
MW492.72 g/mol
LogP0.57
Rot. Bonds10

About 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride

4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride (PubChem CID 18622685) has the molecular formula C21H34Cl2OSiZr and a molecular weight of 492.72 g/mol. Its IUPAC name is 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
PubChem CID18622685
Molecular FormulaC21H34Cl2OSiZr
Molecular Weight492.72 g/mol
Exact Mass490.08
IUPAC Name4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C21H34OSi.2ClH.Zr/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20;;;/h8-11,13,15H,5-7,12,14,16-18H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyCWIUEUBAYHIBBG-UHFFFAOYSA-L
XLogP0.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.72
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride (CID 18622685) is 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The canonical SMILES for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride is CC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The InChIKey is CWIUEUBAYHIBBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H34OSi.2ClH.Zr/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20;;;/h8-11,13,15H,5-7,12,14,16-18H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride has a molecular weight of 492.72 g/mol, XLogP of 0.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 18622685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).