bis(cyclopenta-1,3-diene);zirconium(2+);dichloride

C10H12Cl2Zr — CID 18761836

IUPACbis(cyclopenta-1,3-diene);zirconium(2+);dichloride
SMILESC1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C5H6.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;2*1H;/q;;;;+2/p-2
InChIKeyUIPQOELUORAXGU-UHFFFAOYSA-L
MW294.34 g/mol
LogP-2.99
Rot. Bonds

About bis(cyclopenta-1,3-diene);zirconium(2+);dichloride

bis(cyclopenta-1,3-diene);zirconium(2+);dichloride (PubChem CID 18761836) has the molecular formula C10H12Cl2Zr and a molecular weight of 294.34 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);zirconium(2+);dichloride
PubChem CID18761836
Molecular FormulaC10H12Cl2Zr
Molecular Weight294.34 g/mol
Exact Mass291.94
IUPAC Namebis(cyclopenta-1,3-diene);zirconium(2+);dichloride
SMILESC1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C5H6.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;2*1H;/q;;;;+2/p-2
InChIKeyUIPQOELUORAXGU-UHFFFAOYSA-L
XLogP-2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);zirconium(2+);dichloride?
The IUPAC name of bis(cyclopenta-1,3-diene);zirconium(2+);dichloride (CID 18761836) is bis(cyclopenta-1,3-diene);zirconium(2+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);zirconium(2+);dichloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);zirconium(2+);dichloride is C1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);zirconium(2+);dichloride?
The InChIKey is UIPQOELUORAXGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H6.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);zirconium(2+);dichloride?
bis(cyclopenta-1,3-diene);zirconium(2+);dichloride has a molecular weight of 294.34 g/mol, XLogP of -2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);zirconium(2+);dichloride is sourced from PubChem (CID 18761836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).