dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene

C16H24Cl2SiZr-2 — CID 22926364

IUPACdichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C7H9.C2H6Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-3-2;;;/h5H,3H2,1-2H3;3,5,7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJJOAOZOPGBMUDU-UHFFFAOYSA-L
MW406.58 g/mol
LogP6.19
Rot. Bonds

About dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene

dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene (PubChem CID 22926364) has the molecular formula C16H24Cl2SiZr-2 and a molecular weight of 406.58 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene
PubChem CID22926364
Molecular FormulaC16H24Cl2SiZr-2
Molecular Weight406.58 g/mol
Exact Mass404.01
IUPAC Namedichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C7H9.C2H6Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-3-2;;;/h5H,3H2,1-2H3;3,5,7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJJOAOZOPGBMUDU-UHFFFAOYSA-L
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.58
LogP ≤ 56.19
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;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene (CID 22926364) is dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene is CC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene?
The InChIKey is JJOAOZOPGBMUDU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.C2H6Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-3-2;;;/h5H,3H2,1-2H3;3,5,7H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene?
dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene has a molecular weight of 406.58 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 22926364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).