1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride

C16H24Cl2SiZr-2 — CID 18628490

IUPAC1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
SMILESCC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr+2].[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
LogP-1.18
Rot. Bonds

About 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride

1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 18628490) has the molecular formula C16H24Cl2SiZr-2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
PubChem CID18628490
Molecular FormulaC16H24Cl2SiZr-2
Molecular Weight406.58 g/mol
Exact Mass404.01
IUPAC Name1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
SMILESCC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr+2].[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
XLogP-1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 5-1.18
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 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride (CID 18628490) is 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride is CC1=CC(C)[C-]=C1.CC1=[C-]CC(C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
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 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 406.58 g/mol, XLogP of -1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 18628490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).