bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride

C20H34Cl2O4Si2Zr — CID 87936568

IUPACbis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)OCCOC1=[C-]CC=C1.C[Si](C)(C)OCCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFZHGEULHQFNDLV-UHFFFAOYSA-L
MW556.79 g/mol
LogP-0.99
Rot. Bonds10

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

bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride (PubChem CID 87936568) has the molecular formula C20H34Cl2O4Si2Zr and a molecular weight of 556.79 g/mol. Its IUPAC name is bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride
PubChem CID87936568
Molecular FormulaC20H34Cl2O4Si2Zr
Molecular Weight556.79 g/mol
Exact Mass554.04
IUPAC Namebis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)OCCOC1=[C-]CC=C1.C[Si](C)(C)OCCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFZHGEULHQFNDLV-UHFFFAOYSA-L
XLogP-0.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.79
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride?
The IUPAC name of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride (CID 87936568) is bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride.
What is the SMILES notation for bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride?
The canonical SMILES for bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride is C[Si](C)(C)OCCOC1=[C-]CC=C1.C[Si](C)(C)OCCOC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride?
The InChIKey is FZHGEULHQFNDLV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride?
bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride has a molecular weight of 556.79 g/mol, XLogP of -0.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride is sourced from PubChem (CID 87936568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).