2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride

C15H21Cl2O2SiZr — CID 87936765

IUPAC2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21O2Si.2ClH.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;;;/h4,6-7,10H,5,9,11-12H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyIFHNIZMHIDYVKE-UHFFFAOYSA-L
MW423.55 g/mol
LogP-2.24
Rot. Bonds6

About 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride

2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 87936765) has the molecular formula C15H21Cl2O2SiZr and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride
PubChem CID87936765
Molecular FormulaC15H21Cl2O2SiZr
Molecular Weight423.55 g/mol
Exact Mass420.97
IUPAC Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21O2Si.2ClH.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;;;/h4,6-7,10H,5,9,11-12H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyIFHNIZMHIDYVKE-UHFFFAOYSA-L
XLogP-2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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
(2-Cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87936235
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(2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane);zirconium(4+);dichloride
CID 87936568
trimethyl-[2-[2-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
CID 87936599
2-[2-(2-ethylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87936700

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride (CID 87936765) is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride?
The InChIKey is IFHNIZMHIDYVKE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H21O2Si.2ClH.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;;;/h4,6-7,10H,5,9,11-12H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride?
2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 423.55 g/mol, XLogP of -2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87936765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).