bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide

C14H18Br2Zr — CID 159332319

IUPACbis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
SMILESCc1ccc[c-]1C.Cc1ccc[c-]1C.[Br-].[Br-].[Zr+4]
InChIInChI=1S/2C7H9.2BrH.Zr/c2*1-6-4-3-5-7(6)2;;;/h2*3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHXXUBLWPACOIRE-UHFFFAOYSA-L
MW437.33 g/mol
LogP-1.95
Rot. Bonds

About bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide

bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide (PubChem CID 159332319) has the molecular formula C14H18Br2Zr and a molecular weight of 437.33 g/mol. Its IUPAC name is bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide.

Molecular Properties

Compound Namebis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
PubChem CID159332319
Molecular FormulaC14H18Br2Zr
Molecular Weight437.33 g/mol
Exact Mass433.88
IUPAC Namebis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
SMILESCc1ccc[c-]1C.Cc1ccc[c-]1C.[Br-].[Br-].[Zr+4]
InChIInChI=1S/2C7H9.2BrH.Zr/c2*1-6-4-3-5-7(6)2;;;/h2*3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHXXUBLWPACOIRE-UHFFFAOYSA-L
XLogP-1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide?
The IUPAC name of bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide (CID 159332319) is bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide.
What is the SMILES notation for bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide?
The canonical SMILES for bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide is Cc1ccc[c-]1C.Cc1ccc[c-]1C.[Br-].[Br-].[Zr+4].
What is the InChIKey of bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide?
The InChIKey is HXXUBLWPACOIRE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.2BrH.Zr/c2*1-6-4-3-5-7(6)2;;;/h2*3-5H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide?
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide has a molecular weight of 437.33 g/mol, XLogP of -1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide is sourced from PubChem (CID 159332319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).