1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride

C19H24Cl2SiZr-2 — CID 172816212

IUPAC1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
SMILESC[Si](C)=[Zr+2].Cc1c[cH-]c(C)c1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C7H9.C2H6Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-3-4-7(2)5-6;1-3-2;;;/h2-7H,1H3;3-5H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCQZKPYWNVPTDGW-UHFFFAOYSA-L
MW442.62 g/mol
LogP-0.32
Rot. Bonds

About 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride

1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride (PubChem CID 172816212) has the molecular formula C19H24Cl2SiZr-2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Name1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
PubChem CID172816212
Molecular FormulaC19H24Cl2SiZr-2
Molecular Weight442.62 g/mol
Exact Mass440.01
IUPAC Name1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
SMILESC[Si](C)=[Zr+2].Cc1c[cH-]c(C)c1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C7H9.C2H6Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-3-4-7(2)5-6;1-3-2;;;/h2-7H,1H3;3-5H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCQZKPYWNVPTDGW-UHFFFAOYSA-L
XLogP-0.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.62
LogP ≤ 5-0.32
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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Related Compounds

bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 161077385
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
bis(2,6-dimethylphenolate);dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 162202756
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
CID 87864757
CID 87864757
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride (CID 172816212) is 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride is C[Si](C)=[Zr+2].Cc1c[cH-]c(C)c1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The InChIKey is CQZKPYWNVPTDGW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C7H9.C2H6Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-3-4-7(2)5-6;1-3-2;;;/h2-7H,1H3;3-5H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride has a molecular weight of 442.62 g/mol, XLogP of -0.32, 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;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 172816212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).