cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide

C12H16Br2SiZr-2 — CID 157432095

IUPACcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
SMILESCc1ccc[c-]1C.[Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.2BrH.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h3-5H,1-2H3;1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyXXSRRLHBSQFMTB-UHFFFAOYSA-L
MW439.38 g/mol
LogP-3.48
Rot. Bonds

About cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide

cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide (PubChem CID 157432095) has the molecular formula C12H16Br2SiZr-2 and a molecular weight of 439.38 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
PubChem CID157432095
Molecular FormulaC12H16Br2SiZr-2
Molecular Weight439.38 g/mol
Exact Mass435.84
IUPAC Namecyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
SMILESCc1ccc[c-]1C.[Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.2BrH.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h3-5H,1-2H3;1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyXXSRRLHBSQFMTB-UHFFFAOYSA-L
XLogP-3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 5-3.48
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 cyclopenta-1,3-diene;1,5-dimethylcyclopenta-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 cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide?
The IUPAC name of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide (CID 157432095) is cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide.
What is the SMILES notation for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide?
The canonical SMILES for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide is Cc1ccc[c-]1C.[Br-].[Br-].[SiH2]=[Zr+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide?
The InChIKey is XXSRRLHBSQFMTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9.C5H5.2BrH.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h3-5H,1-2H3;1-5H;2*1H;1H2;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide?
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide has a molecular weight of 439.38 g/mol, XLogP of -3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide is sourced from PubChem (CID 157432095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).