cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride

C20H26Cl2OSiZr-2 — CID 158136527

IUPACcyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESCC(=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H14OSi.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-4-8(2,3)6-5-7;1-2-4-5-3-1;;;/h1-7H;7H,5-6H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyJNTCSSUPISJUIP-UHFFFAOYSA-L
MW472.64 g/mol
LogP-1.06
Rot. Bonds3

About cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride

cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride (PubChem CID 158136527) has the molecular formula C20H26Cl2OSiZr-2 and a molecular weight of 472.64 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride
PubChem CID158136527
Molecular FormulaC20H26Cl2OSiZr-2
Molecular Weight472.64 g/mol
Exact Mass470.02
IUPAC Namecyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESCC(=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H14OSi.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-4-8(2,3)6-5-7;1-2-4-5-3-1;;;/h1-7H;7H,5-6H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyJNTCSSUPISJUIP-UHFFFAOYSA-L
XLogP-1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
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 cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride (CID 158136527) is cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride is CC(=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The InChIKey is JNTCSSUPISJUIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C6H14OSi.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-4-8(2,3)6-5-7;1-2-4-5-3-1;;;/h1-7H;7H,5-6H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride has a molecular weight of 472.64 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 158136527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).