dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene

C35H50O2SiZr-2 — CID 161489866

About dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene

dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 161489866) has the molecular formula C35H50O2SiZr-2 and a molecular weight of 622.09 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene
• PubChem CID: 161489866
• Molecular Formula: C35H50O2SiZr-2
• Molecular Weight: 622.09 g/mol
• Exact Mass: 620.26
• IUPAC Name: dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1
• InChI: InChI=1S/C16H13.C9H13.2C4H9O.C2H6Si.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-6-5-7(2)9(4)8(6)3;2*1-4(2,3)5;1-3-2;/h2-11H,1H3;6H,1-4H3;2*1-3H3;1-2H3;/q4*-1;;+2
• InChIKey: ISWQFAUWPFSTOV-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 46.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.09
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene?

The IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 161489866) is dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene.

What is the SMILES notation for dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene?

The canonical SMILES for dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene is CC(C)(C)[O-].CC(C)(C)[O-].CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1.

What is the InChIKey of dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene?

The InChIKey is ISWQFAUWPFSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13.C9H13.2C4H9O.C2H6Si.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-6-5-7(2)9(4)8(6)3;2*1-4(2,3)5;1-3-2;/h2-11H,1H3;6H,1-4H3;2*1-3H3;1-2H3;/q4*-1;;+2.

What are the key properties of dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene?

dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 622.09 g/mol, XLogP of 8.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;bis(2-methylpropan-2-olate);1,2,3,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 161489866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).