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

C14H20Cl2SiZr-2 — CID 87566519

IUPACdimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride
SMILESCC1=CC=[C-]C1.CC1=CC[C-]=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C6H7.C2H6Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h4-5H,2H2,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGQGMUGUMIIEJE-UHFFFAOYSA-L
MW378.53 g/mol
LogP-1.82
Rot. Bonds

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

dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride (PubChem CID 87566519) has the molecular formula C14H20Cl2SiZr-2 and a molecular weight of 378.53 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride
PubChem CID87566519
Molecular FormulaC14H20Cl2SiZr-2
Molecular Weight378.53 g/mol
Exact Mass375.98
IUPAC Namedimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride
SMILESCC1=CC=[C-]C1.CC1=CC[C-]=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C6H7.C2H6Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h4-5H,2H2,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGQGMUGUMIIEJE-UHFFFAOYSA-L
XLogP-1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 5-1.82
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

Zirconium(4+) chloride 2-ethylcyclopenta-1,3-dien-1-ide (1/2/2)
CID 21226306
Trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane
CID 134981460
1-Silacyclopenta-2,4-diene, 3-ethyl-1,1,2,5-tetramethyl-
CID 548103
Silane, bis(2,4-dimethyl-2,4-cyclopentadien-1-yl)dimethyl-
CID 12156406
Bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
CID 12998001
Bis(2,4-dimethylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820798
Dimethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane
CID 17775214
Trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane
CID 17779551
1,3-Dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;methylidenezirconium(2+);dichloride
CID 17819695
Cyclopenta-1,3-diene;1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 17819724
2-Tert-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 17819728
Bis(1,2-dimethylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 17832413

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride (CID 87566519) is dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride is CC1=CC=[C-]C1.CC1=CC[C-]=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride?
The InChIKey is QGQGMUGUMIIEJE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C2H6Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h4-5H,2H2,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride?
dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride has a molecular weight of 378.53 g/mol, XLogP of -1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 87566519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).