dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)

C24H40Cl2SiZr-2 — CID 154481190

IUPACdichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)
SMILESCCc1cc(CC)c(CC)[cH-]1.CCc1cc(CC)c(CC)[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C11H17.C2H6Si.2ClH.Zr/c2*1-4-9-7-10(5-2)11(6-3)8-9;1-3-2;;;/h2*7-8H,4-6H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFJBJCADXHMZWQV-UHFFFAOYSA-L
MW518.80 g/mol
LogP8.35
Rot. Bonds6

About dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)

dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene) (PubChem CID 154481190) has the molecular formula C24H40Cl2SiZr-2 and a molecular weight of 518.80 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)
PubChem CID154481190
Molecular FormulaC24H40Cl2SiZr-2
Molecular Weight518.80 g/mol
Exact Mass516.13
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)
SMILESCCc1cc(CC)c(CC)[cH-]1.CCc1cc(CC)c(CC)[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C11H17.C2H6Si.2ClH.Zr/c2*1-4-9-7-10(5-2)11(6-3)8-9;1-3-2;;;/h2*7-8H,4-6H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFJBJCADXHMZWQV-UHFFFAOYSA-L
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.80
LogP ≤ 58.35
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(1,2,4-triethylcyclopenta-1,3-diene)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene) (CID 154481190) is dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene) is CCc1cc(CC)c(CC)[cH-]1.CCc1cc(CC)c(CC)[cH-]1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)?
The InChIKey is FJBJCADXHMZWQV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H17.C2H6Si.2ClH.Zr/c2*1-4-9-7-10(5-2)11(6-3)8-9;1-3-2;;;/h2*7-8H,4-6H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)?
dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene) has a molecular weight of 518.80 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene) is sourced from PubChem (CID 154481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).