bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide

C10H12Br2SiZr-2 — CID 158254921

IUPACbis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide
SMILES[Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2BrH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyRCAVGOKAXZSIIY-UHFFFAOYSA-L
MW411.32 g/mol
LogP-4.10
Rot. Bonds

About bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide

bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide (PubChem CID 158254921) has the molecular formula C10H12Br2SiZr-2 and a molecular weight of 411.32 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide
PubChem CID158254921
Molecular FormulaC10H12Br2SiZr-2
Molecular Weight411.32 g/mol
Exact Mass407.81
IUPAC Namebis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide
SMILES[Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2BrH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyRCAVGOKAXZSIIY-UHFFFAOYSA-L
XLogP-4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide?
The IUPAC name of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide (CID 158254921) is bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide.
What is the SMILES notation for bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide?
The canonical SMILES for bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide is [Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide?
The InChIKey is RCAVGOKAXZSIIY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.2BrH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide?
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide has a molecular weight of 411.32 g/mol, XLogP of -4.10, 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);silylidenezirconium(2+);dibromide is sourced from PubChem (CID 158254921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).