dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)

C24H28Cl2SiZr-2 — CID 87410533

IUPACdichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-3-2;;;/h2*3-7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFQSGHQHECPWPER-UHFFFAOYSA-L
MW506.70 g/mol
LogP8.51
Rot. Bonds

About dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide) (PubChem CID 87410533) has the molecular formula C24H28Cl2SiZr-2 and a molecular weight of 506.70 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
PubChem CID87410533
Molecular FormulaC24H28Cl2SiZr-2
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-3-2;;;/h2*3-7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFQSGHQHECPWPER-UHFFFAOYSA-L
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 58.51
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)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide) (CID 87410533) is dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide) is C[Si](C)=[Zr](Cl)Cl.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)?
The InChIKey is FQSGHQHECPWPER-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-3-2;;;/h2*3-7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide) has a molecular weight of 506.70 g/mol, XLogP of 8.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide) is sourced from PubChem (CID 87410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).