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

C15H22Cl2O2SiZr — CID 87936782

IUPACcyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
SMILESCCOC1=[C-]CC=C1O[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17O2Si.C5H5.2ClH.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWZUGBVULMJWOCG-UHFFFAOYSA-L
MW424.56 g/mol
LogP-1.84
Rot. Bonds4

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

cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride (PubChem CID 87936782) has the molecular formula C15H22Cl2O2SiZr and a molecular weight of 424.56 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
PubChem CID87936782
Molecular FormulaC15H22Cl2O2SiZr
Molecular Weight424.56 g/mol
Exact Mass421.98
IUPAC Namecyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
SMILESCCOC1=[C-]CC=C1O[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17O2Si.C5H5.2ClH.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWZUGBVULMJWOCG-UHFFFAOYSA-L
XLogP-1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 5-1.84
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-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride with MolForge

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Launch Full Analysis

Related Compounds

1-(2,3-Dihydrofuran-5-yl)ethenoxy-trimethylsilane
CID 134885415
Bis(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
CID 87935909
2-[4-(2-ethylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87936090
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
Cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride
CID 87936264
trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
CID 87936351
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

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride (CID 87936782) is cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride is CCOC1=[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-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
The InChIKey is WZUGBVULMJWOCG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17O2Si.C5H5.2ClH.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride?
cyclopenta-1,3-diene;(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride has a molecular weight of 424.56 g/mol, XLogP of -1.84, 4 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-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 87936782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).