dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride

C29H30Cl2SiTi-2 — CID 87865717

About dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride

dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride (PubChem CID 87865717) has the molecular formula C29H30Cl2SiTi-2 and a molecular weight of 525.42 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
• PubChem CID: 87865717
• Molecular Formula: C29H30Cl2SiTi-2
• Molecular Weight: 525.42 g/mol
• Exact Mass: 524.10
• IUPAC Name: dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
• SMILES: CCc1cc2ccccc2[cH-]1.C[Si](C)=[Ti+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-]
• InChI: InChI=1S/C16H13.C11H11.C2H6Si.2ClH.Ti/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h2-11H,1H3;3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: QCWCSQCCWARBJB-UHFFFAOYSA-L
• XLogP: 2.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.42
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride?

The IUPAC name of dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride (CID 87865717) is dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride.

What is the SMILES notation for dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride?

The canonical SMILES for dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride is CCc1cc2ccccc2[cH-]1.C[Si](C)=[Ti+2].Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride?

The InChIKey is QCWCSQCCWARBJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.C11H11.C2H6Si.2ClH.Ti/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h2-11H,1H3;3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride?

dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride has a molecular weight of 525.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 87865717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).