bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride

C18H32Cl2Si2Zr — CID 87136874

IUPACbis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride
SMILESCC1=[C-]CC=C1[Si](C)(C)C.CC1=[C-]CC=C1[Si](C)(C)C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-6-5-7-9(8)10(2,3)4;;;/h2*7H,5H2,1-4H3;2*1H;/q2*-1;;;+2
InChIKeyFOOUQNCBPQGWAB-UHFFFAOYSA-N
MW466.76 g/mol
LogP6.73
Rot. Bonds2

About bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride

bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride (PubChem CID 87136874) has the molecular formula C18H32Cl2Si2Zr and a molecular weight of 466.76 g/mol. Its IUPAC name is bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride
PubChem CID87136874
Molecular FormulaC18H32Cl2Si2Zr
Molecular Weight466.76 g/mol
Exact Mass464.05
IUPAC Namebis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride
SMILESCC1=[C-]CC=C1[Si](C)(C)C.CC1=[C-]CC=C1[Si](C)(C)C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-6-5-7-9(8)10(2,3)4;;;/h2*7H,5H2,1-4H3;2*1H;/q2*-1;;;+2
InChIKeyFOOUQNCBPQGWAB-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 56.73
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 bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride?
The IUPAC name of bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride (CID 87136874) is bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride is CC1=[C-]CC=C1[Si](C)(C)C.CC1=[C-]CC=C1[Si](C)(C)C.Cl.Cl.[Zr+2].
What is the InChIKey of bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride?
The InChIKey is FOOUQNCBPQGWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-6-5-7-9(8)10(2,3)4;;;/h2*7H,5H2,1-4H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride?
bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride has a molecular weight of 466.76 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride is sourced from PubChem (CID 87136874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).