dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride

C23H26Cl2SiZr-2 — CID 18369810

IUPACdimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
SMILESCCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C11H11.C10H9.C2H6Si.2ClH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h3-8H,2H2,1H3;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRCTNUGZUAAGNAW-UHFFFAOYSA-L
MW492.68 g/mol
LogP0.78
Rot. Bonds1

About dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride

dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (PubChem CID 18369810) has the molecular formula C23H26Cl2SiZr-2 and a molecular weight of 492.68 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
PubChem CID18369810
Molecular FormulaC23H26Cl2SiZr-2
Molecular Weight492.68 g/mol
Exact Mass490.02
IUPAC Namedimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
SMILESCCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C11H11.C10H9.C2H6Si.2ClH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h3-8H,2H2,1H3;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRCTNUGZUAAGNAW-UHFFFAOYSA-L
XLogP0.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 50.78
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (CID 18369810) is dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is CCc1cc2ccccc2[cH-]1.C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The InChIKey is RCTNUGZUAAGNAW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C10H9.C2H6Si.2ClH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h3-8H,2H2,1H3;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride has a molecular weight of 492.68 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);2-ethyl-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 18369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).