cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride

C14H20Cl2OSiZr — CID 157111889

IUPACcyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1CCO.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C9H15OSi.C5H5.2ClH.Zr/c1-11(2)9-5-3-4-8(9)6-7-10;1-2-4-5-3-1;;;/h3-5,10-11H,6-7H2,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLOBSDENAAFBDCG-UHFFFAOYSA-L
MW394.53 g/mol
LogP-3.95
Rot. Bonds3

About cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride

cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride (PubChem CID 157111889) has the molecular formula C14H20Cl2OSiZr and a molecular weight of 394.53 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
PubChem CID157111889
Molecular FormulaC14H20Cl2OSiZr
Molecular Weight394.53 g/mol
Exact Mass391.97
IUPAC Namecyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1CCO.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C9H15OSi.C5H5.2ClH.Zr/c1-11(2)9-5-3-4-8(9)6-7-10;1-2-4-5-3-1;;;/h3-5,10-11H,6-7H2,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLOBSDENAAFBDCG-UHFFFAOYSA-L
XLogP-3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 5-3.95
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;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride (CID 157111889) is cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride is C[SiH](C)[c-]1cccc1CCO.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride?
The InChIKey is LOBSDENAAFBDCG-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15OSi.C5H5.2ClH.Zr/c1-11(2)9-5-3-4-8(9)6-7-10;1-2-4-5-3-1;;;/h3-5,10-11H,6-7H2,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride?
cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride has a molecular weight of 394.53 g/mol, XLogP of -3.95, 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;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride is sourced from PubChem (CID 157111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).