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

C15H21Cl2OSiZr — CID 87935810

IUPAC2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-12-11-14-9-6-10-15(14)13-7-4-5-8-13;;;/h4,6-7,9H,5,10-12H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyVEHVPLYJPDOIMC-UHFFFAOYSA-L
MW407.55 g/mol
LogP-1.82
Rot. Bonds5

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

2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 87935810) has the molecular formula C15H21Cl2OSiZr and a molecular weight of 407.55 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride
PubChem CID87935810
Molecular FormulaC15H21Cl2OSiZr
Molecular Weight407.55 g/mol
Exact Mass404.98
IUPAC Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-12-11-14-9-6-10-15(14)13-7-4-5-8-13;;;/h4,6-7,9H,5,10-12H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyVEHVPLYJPDOIMC-UHFFFAOYSA-L
XLogP-1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride (CID 87935810) is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCCC1=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)ethoxy-trimethylsilane;zirconium(3+);dichloride?
The InChIKey is VEHVPLYJPDOIMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-12-11-14-9-6-10-15(14)13-7-4-5-8-13;;;/h4,6-7,9H,5,10-12H2,1-3H3;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)ethoxy-trimethylsilane;zirconium(3+);dichloride?
2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 407.55 g/mol, XLogP of -1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 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)ethoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87935810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).