bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride

C18H30Cl2Si2Zr — CID 87591081

IUPACbis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
SMILESCC1=[C-]C([Si](C)(C)C)=CC1.CC1=[C-]C([Si](C)(C)C)=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;/h2*6H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHMTAKDYCGPDXOO-UHFFFAOYSA-L
MW464.74 g/mol
LogP-0.11
Rot. Bonds2

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

bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride (PubChem CID 87591081) has the molecular formula C18H30Cl2Si2Zr and a molecular weight of 464.74 g/mol. Its IUPAC name is bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
PubChem CID87591081
Molecular FormulaC18H30Cl2Si2Zr
Molecular Weight464.74 g/mol
Exact Mass462.03
IUPAC Namebis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
SMILESCC1=[C-]C([Si](C)(C)C)=CC1.CC1=[C-]C([Si](C)(C)C)=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;/h2*6H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHMTAKDYCGPDXOO-UHFFFAOYSA-L
XLogP-0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.74
LogP ≤ 5-0.11
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-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The IUPAC name of bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride (CID 87591081) is bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride.
What is the SMILES notation for bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The canonical SMILES for bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride is CC1=[C-]C([Si](C)(C)C)=CC1.CC1=[C-]C([Si](C)(C)C)=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The InChIKey is HMTAKDYCGPDXOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H15Si.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;/h2*6H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride has a molecular weight of 464.74 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride is sourced from PubChem (CID 87591081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).