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

C22H38Cl2O4Si2Zr-2 — CID 87936747

IUPACbis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCOC1=CC[C-]=C1.C[Si](C)(C)OCCOC1=CC[C-]=C1.[Cl-].[Cl-]
InChIInChI=1S/2C10H17O2Si.C2H4.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;1-2;;;/h2*6-7H,4,8-9H2,1-3H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNLNNPIXQFZDXOU-UHFFFAOYSA-L
MW584.84 g/mol
LogP-0.63
Rot. Bonds10

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

bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride (PubChem CID 87936747) has the molecular formula C22H38Cl2O4Si2Zr-2 and a molecular weight of 584.84 g/mol. Its IUPAC name is bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
PubChem CID87936747
Molecular FormulaC22H38Cl2O4Si2Zr-2
Molecular Weight584.84 g/mol
Exact Mass582.07
IUPAC Namebis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCOC1=CC[C-]=C1.C[Si](C)(C)OCCOC1=CC[C-]=C1.[Cl-].[Cl-]
InChIInChI=1S/2C10H17O2Si.C2H4.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;1-2;;;/h2*6-7H,4,8-9H2,1-3H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNLNNPIXQFZDXOU-UHFFFAOYSA-L
XLogP-0.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.84
LogP ≤ 5-0.63
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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Related Compounds

CID 87935903
CID 87935903
CID 87935909
CID 87935909
CID 87935960
CID 87935960
CID 87935964
CID 87935964
CID 87936108
CID 87936108
CID 87936115
CID 87936115
CID 87936179
CID 87936179
CID 87936184
CID 87936184
CID 87936245
CID 87936245
CID 87936253
CID 87936253
CID 87936262
CID 87936262
CID 87936264
CID 87936264

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?
The IUPAC name of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride (CID 87936747) is bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?
The canonical SMILES for bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride is CC=[Zr+2].C[Si](C)(C)OCCOC1=CC[C-]=C1.C[Si](C)(C)OCCOC1=CC[C-]=C1.[Cl-].[Cl-].
What is the InChIKey of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?
The InChIKey is NLNNPIXQFZDXOU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H17O2Si.C2H4.2ClH.Zr/c2*1-13(2,3)12-9-8-11-10-6-4-5-7-10;1-2;;;/h2*6-7H,4,8-9H2,1-3H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?
bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride has a molecular weight of 584.84 g/mol, XLogP of -0.63, 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);ethylidenezirconium(2+);dichloride is sourced from PubChem (CID 87936747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).