cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride

C23H28Cl2OSi2Zr-2 — CID 158703055

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H14OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-8(2,3)5-4-6;1-2-4-5-3-1;;;/h1-9H;6H,4-5H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyIYGZUYPMQLEAJB-UHFFFAOYSA-L
MW538.78 g/mol
LogP0.06
Rot. Bonds3

About cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride

cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride (PubChem CID 158703055) has the molecular formula C23H28Cl2OSi2Zr-2 and a molecular weight of 538.78 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
PubChem CID158703055
Molecular FormulaC23H28Cl2OSi2Zr-2
Molecular Weight538.78 g/mol
Exact Mass536.01
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H14OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-8(2,3)5-4-6;1-2-4-5-3-1;;;/h1-9H;6H,4-5H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyIYGZUYPMQLEAJB-UHFFFAOYSA-L
XLogP0.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.78
LogP ≤ 50.06
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;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride (CID 158703055) is cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride is C[Si](=[Zr+2])[Si](C)(C)CCO.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride?
The InChIKey is IYGZUYPMQLEAJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H14OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-8(2,3)5-4-6;1-2-4-5-3-1;;;/h1-9H;6H,4-5H2,1-3H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride?
cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride has a molecular weight of 538.78 g/mol, XLogP of 0.06, 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;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride is sourced from PubChem (CID 158703055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).