bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride

C20H34Cl2O4Si2Zr — CID 87936594

IUPACbis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride
SMILESCCOC1=[C-]CC=C1O[Si](C)(C)C.CCOC1=[C-]CC=C1O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-5-11-9-7-6-8-10(9)12-13(2,3)4;;;/h2*8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyTYDIMHNNLNSGMQ-UHFFFAOYSA-L
MW556.79 g/mol
LogP-0.30
Rot. Bonds8

About bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride

bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride (PubChem CID 87936594) has the molecular formula C20H34Cl2O4Si2Zr and a molecular weight of 556.79 g/mol. Its IUPAC name is bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride
PubChem CID87936594
Molecular FormulaC20H34Cl2O4Si2Zr
Molecular Weight556.79 g/mol
Exact Mass554.04
IUPAC Namebis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride
SMILESCCOC1=[C-]CC=C1O[Si](C)(C)C.CCOC1=[C-]CC=C1O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-5-11-9-7-6-8-10(9)12-13(2,3)4;;;/h2*8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyTYDIMHNNLNSGMQ-UHFFFAOYSA-L
XLogP-0.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.79
LogP ≤ 5-0.30
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'}

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Related Compounds

CID 87935903
CID 87935903
CID 87935909
CID 87935909
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
CID 87936565
CID 87936565
CID 87936568
CID 87936568

Frequently Asked Questions

What is the IUPAC name of bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride?
The IUPAC name of bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride (CID 87936594) is bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride.
What is the SMILES notation for bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride?
The canonical SMILES for bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride is CCOC1=[C-]CC=C1O[Si](C)(C)C.CCOC1=[C-]CC=C1O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride?
The InChIKey is TYDIMHNNLNSGMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H17O2Si.2ClH.Zr/c2*1-5-11-9-7-6-8-10(9)12-13(2,3)4;;;/h2*8H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride?
bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride has a molecular weight of 556.79 g/mol, XLogP of -0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride is sourced from PubChem (CID 87936594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).