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

C18H28Cl2OSiZr — CID 131723810

IUPAC4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
SMILESCC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C18H28OSi.2ClH.Zr/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyMZSMPIBBONDIFF-UHFFFAOYSA-L
MW450.64 g/mol
LogP-0.89
Rot. Bonds7

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

4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride (PubChem CID 131723810) has the molecular formula C18H28Cl2OSiZr and a molecular weight of 450.64 g/mol. Its IUPAC name is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
PubChem CID131723810
Molecular FormulaC18H28Cl2OSiZr
Molecular Weight450.64 g/mol
Exact Mass448.03
IUPAC Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
SMILESCC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C18H28OSi.2ClH.Zr/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyMZSMPIBBONDIFF-UHFFFAOYSA-L
XLogP-0.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.64
LogP ≤ 5-0.89
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-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The IUPAC name of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride (CID 131723810) is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The canonical SMILES for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride is CC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
The InChIKey is MZSMPIBBONDIFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H28OSi.2ClH.Zr/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride?
4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride has a molecular weight of 450.64 g/mol, XLogP of -0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 131723810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).