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

C34H48Cl2HfSi-2 — CID 173247752

IUPACdichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
SMILESC[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
InChIInChI=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
InChIKeyDVRGBIYVSGCGMC-UHFFFAOYSA-L
MW734.24 g/mol
LogP12.39
Rot. Bonds4

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 Namedichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
PubChem CID173247752
Molecular FormulaC34H48Cl2HfSi-2
Molecular Weight734.24 g/mol
Exact Mass734.24
IUPAC Namedichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
SMILESC[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
InChIInChI=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
InChIKeyDVRGBIYVSGCGMC-UHFFFAOYSA-L
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.24
LogP ≤ 512.39
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 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).