cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride

C14H20Cl2O2SiZr — CID 87936264

IUPACcyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
SMILESCOC1=[C-]CC=C1O[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyVENLJCOFAKXFAH-UHFFFAOYSA-L
MW410.53 g/mol
LogP-2.23
Rot. Bonds3

About cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride

cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride (PubChem CID 87936264) has the molecular formula C14H20Cl2O2SiZr and a molecular weight of 410.53 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
PubChem CID87936264
Molecular FormulaC14H20Cl2O2SiZr
Molecular Weight410.53 g/mol
Exact Mass407.97
IUPAC Namecyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
SMILESCOC1=[C-]CC=C1O[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyVENLJCOFAKXFAH-UHFFFAOYSA-L
XLogP-2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 5-2.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride with MolForge

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Related Compounds

Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
CID 87935909
2-(2-Cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium
CID 87936103
Cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+)
CID 87936115
Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
CID 87936184
Cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
CID 87936245
Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
CID 87936262
Bis((5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(2+);dihydrochloride
CID 87936565
Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride
CID 87936568
Bis((5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride
CID 87936577
Bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(2+);dihydrochloride
CID 87936578
Bis((5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane);zirconium(4+);dichloride
CID 87936594
Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
CID 87936747

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride (CID 87936264) is cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride is COC1=[C-]CC=C1O[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The InChIKey is VENLJCOFAKXFAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride has a molecular weight of 410.53 g/mol, XLogP of -2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 87936264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).