dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide

C17H17Cl2SiZr- — CID 173179166

IUPACdichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide
SMILESC[Si](c1ccccc1)=[Zr](Cl)Cl.Cc1cc2ccccc2[cH-]1
InChIInChI=1S/C10H9.C7H8Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-7H,1H3;2-6H,1H3;2*1H;/q-1;;;;+2/p-2
InChIKeyCCIUAUQZDDRXJX-UHFFFAOYSA-L
MW411.54 g/mol
LogP5.31
Rot. Bonds1

About dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide

dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide (PubChem CID 173179166) has the molecular formula C17H17Cl2SiZr- and a molecular weight of 411.54 g/mol. Its IUPAC name is dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide
PubChem CID173179166
Molecular FormulaC17H17Cl2SiZr-
Molecular Weight411.54 g/mol
Exact Mass408.95
IUPAC Namedichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide
SMILESC[Si](c1ccccc1)=[Zr](Cl)Cl.Cc1cc2ccccc2[cH-]1
InChIInChI=1S/C10H9.C7H8Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-7H,1H3;2-6H,1H3;2*1H;/q-1;;;;+2/p-2
InChIKeyCCIUAUQZDDRXJX-UHFFFAOYSA-L
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 55.31
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 dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide 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 dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide?
The IUPAC name of dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide (CID 173179166) is dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide.
What is the SMILES notation for dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide?
The canonical SMILES for dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide is C[Si](c1ccccc1)=[Zr](Cl)Cl.Cc1cc2ccccc2[cH-]1.
What is the InChIKey of dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide?
The InChIKey is CCIUAUQZDDRXJX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C7H8Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-7H,1H3;2-6H,1H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide?
dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide has a molecular weight of 411.54 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide is sourced from PubChem (CID 173179166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).