(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride

C9H16Cl2SiZr — CID 173246971

IUPAC(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
SMILESCC1=C(C)C(C)C([SiH3])=C1C.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C9H16Si.2ClH.Zr/c1-5-6(2)8(4)9(10)7(5)3;;;/h7H,1-4,10H3;2*1H;/q;;;+2/p-2
InChIKeyCOQDJTZRRNOGED-UHFFFAOYSA-L
MW314.44 g/mol
LogP-4.38
Rot. Bonds

About (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride

(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride (PubChem CID 173246971) has the molecular formula C9H16Cl2SiZr and a molecular weight of 314.44 g/mol. Its IUPAC name is (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride.

Molecular Properties

Compound Name(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
PubChem CID173246971
Molecular FormulaC9H16Cl2SiZr
Molecular Weight314.44 g/mol
Exact Mass311.94
IUPAC Name(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
SMILESCC1=C(C)C(C)C([SiH3])=C1C.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C9H16Si.2ClH.Zr/c1-5-6(2)8(4)9(10)7(5)3;;;/h7H,1-4,10H3;2*1H;/q;;;+2/p-2
InChIKeyCOQDJTZRRNOGED-UHFFFAOYSA-L
XLogP-4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 5-4.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride?
The IUPAC name of (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride (CID 173246971) is (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride.
What is the SMILES notation for (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride?
The canonical SMILES for (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride is CC1=C(C)C(C)C([SiH3])=C1C.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride?
The InChIKey is COQDJTZRRNOGED-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16Si.2ClH.Zr/c1-5-6(2)8(4)9(10)7(5)3;;;/h7H,1-4,10H3;2*1H;/q;;;+2/p-2.
What are the key properties of (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride?
(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride has a molecular weight of 314.44 g/mol, XLogP of -4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride is sourced from PubChem (CID 173246971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).