dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride

C20H32Cl2SiZr-2 — CID 87675416

IUPACdimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride
SMILESCCC1[C-]=C(C)C(C)=C1.CCC1[C-]=C(C)C(C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-4-9-5-7(2)8(3)6-9;1-3-2;;;/h2*5,9H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAMIRHGLSHJKUQH-UHFFFAOYSA-L
MW462.69 g/mol
LogP0.24
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride

dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride (PubChem CID 87675416) has the molecular formula C20H32Cl2SiZr-2 and a molecular weight of 462.69 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride
PubChem CID87675416
Molecular FormulaC20H32Cl2SiZr-2
Molecular Weight462.69 g/mol
Exact Mass460.07
IUPAC Namedimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride
SMILESCCC1[C-]=C(C)C(C)=C1.CCC1[C-]=C(C)C(C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-4-9-5-7(2)8(3)6-9;1-3-2;;;/h2*5,9H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAMIRHGLSHJKUQH-UHFFFAOYSA-L
XLogP0.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.69
LogP ≤ 50.24
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 dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride 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 dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride (CID 87675416) is dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride is CCC1[C-]=C(C)C(C)=C1.CCC1[C-]=C(C)C(C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride?
The InChIKey is AMIRHGLSHJKUQH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-4-9-5-7(2)8(3)6-9;1-3-2;;;/h2*5,9H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride?
dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride has a molecular weight of 462.69 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 87675416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).