bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride

C18H32Cl2Si2Zr — CID 87359755

IUPACbis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)CC1=[C-]CC=C1.C[Si](C)(C)CC1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyVCACWRRFHVEDGZ-UHFFFAOYSA-N
MW466.76 g/mol
LogP6.87
Rot. Bonds4

About bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride

bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride (PubChem CID 87359755) has the molecular formula C18H32Cl2Si2Zr and a molecular weight of 466.76 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride
PubChem CID87359755
Molecular FormulaC18H32Cl2Si2Zr
Molecular Weight466.76 g/mol
Exact Mass464.05
IUPAC Namebis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)CC1=[C-]CC=C1.C[Si](C)(C)CC1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H15Si.2ClH.Zr/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyVCACWRRFHVEDGZ-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 56.87
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(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride?
The IUPAC name of bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride (CID 87359755) is bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride is C[Si](C)(C)CC1=[C-]CC=C1.C[Si](C)(C)CC1=[C-]CC=C1.Cl.Cl.[Zr+2].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride?
The InChIKey is VCACWRRFHVEDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15Si.2ClH.Zr/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride?
bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride has a molecular weight of 466.76 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride is sourced from PubChem (CID 87359755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).