dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)

C34H48Cl2HfSi-2 — CID 173247752

About dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)

dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide) (PubChem CID 173247752) has the molecular formula C34H48Cl2HfSi-2 and a molecular weight of 734.24 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide).

Molecular Properties

• Compound Name: dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
• PubChem CID: 173247752
• Molecular Formula: C34H48Cl2HfSi-2
• Molecular Weight: 734.24 g/mol
• Exact Mass: 734.24
• IUPAC Name: dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
• SMILES: C[Si](C)=[Hf](Cl)Cl.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1
• InChI: InChI=1S/2C16H21.C2H6Si.2ClH.Hf/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-3-2;;;/h2*6-11H,1-5H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: DVRGBIYVSGCGMC-UHFFFAOYSA-L
• XLogP: 12.39
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.24
LogP ≤ 5	12.39
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 dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)?

The IUPAC name of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide) (CID 173247752) is dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide).

What is the SMILES notation for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)?

The canonical SMILES for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide) is C[Si](C)=[Hf](Cl)Cl.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.

What is the InChIKey of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)?

The InChIKey is DVRGBIYVSGCGMC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H21.C2H6Si.2ClH.Hf/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-3-2;;;/h2*6-11H,1-5H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)?

dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide) has a molecular weight of 734.24 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide) is sourced from PubChem (CID 173247752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).