bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride

C18H30Cl2O4Si2Zr — CID 87936552

IUPACbis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)OCOC1=[C-]CC=C1.C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H15O2Si.2ClH.Zr/c2*1-12(2,3)11-8-10-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHOWDICHZZDXNIR-UHFFFAOYSA-L
MW528.74 g/mol
LogP-1.08
Rot. Bonds8

About bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride

bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride (PubChem CID 87936552) has the molecular formula C18H30Cl2O4Si2Zr and a molecular weight of 528.74 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride
PubChem CID87936552
Molecular FormulaC18H30Cl2O4Si2Zr
Molecular Weight528.74 g/mol
Exact Mass526.01
IUPAC Namebis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)OCOC1=[C-]CC=C1.C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H15O2Si.2ClH.Zr/c2*1-12(2,3)11-8-10-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHOWDICHZZDXNIR-UHFFFAOYSA-L
XLogP-1.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.74
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride (CID 87936552) is bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride is C[Si](C)(C)OCOC1=[C-]CC=C1.C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride?
The InChIKey is HOWDICHZZDXNIR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H15O2Si.2ClH.Zr/c2*1-12(2,3)11-8-10-9-6-4-5-7-9;;;/h2*4,6H,5,8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride?
bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride has a molecular weight of 528.74 g/mol, XLogP of -1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane);zirconium(4+);dichloride is sourced from PubChem (CID 87936552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).