dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride

C23H26Cl2SiZr-2 — CID 162117833

IUPACdimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride
SMILESC[Si](C)=[Zr+2].[CH2-]CCC1C=Cc2ccccc21.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-10H,1-2,5H2;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKMPKZRQYBBUPPA-UHFFFAOYSA-L
MW492.68 g/mol
LogP0.76
Rot. Bonds2

About dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride

dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride (PubChem CID 162117833) has the molecular formula C23H26Cl2SiZr-2 and a molecular weight of 492.68 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride
PubChem CID162117833
Molecular FormulaC23H26Cl2SiZr-2
Molecular Weight492.68 g/mol
Exact Mass490.02
IUPAC Namedimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride
SMILESC[Si](C)=[Zr+2].[CH2-]CCC1C=Cc2ccccc21.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-10H,1-2,5H2;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKMPKZRQYBBUPPA-UHFFFAOYSA-L
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 50.76
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+);1H-inden-1-ide;1-propyl-1H-indene;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride (CID 162117833) is dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride is C[Si](C)=[Zr+2].[CH2-]CCC1C=Cc2ccccc21.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride?
The InChIKey is KMPKZRQYBBUPPA-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-10H,1-2,5H2;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride?
dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride has a molecular weight of 492.68 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);1H-inden-1-ide;1-propyl-1H-indene;dichloride is sourced from PubChem (CID 162117833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).