dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride

C22H22Cl2SiZr — CID 159229048

IUPACdimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H15Si.C9H7.2ClH.Zr/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-10,14H,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyUNXGKITYQJGEJP-UHFFFAOYSA-L
MW476.63 g/mol
LogP-0.67
Rot. Bonds2

About dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride

dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 159229048) has the molecular formula C22H22Cl2SiZr and a molecular weight of 476.63 g/mol. Its IUPAC name is dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Namedimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID159229048
Molecular FormulaC22H22Cl2SiZr
Molecular Weight476.63 g/mol
Exact Mass473.99
IUPAC Namedimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H15Si.C9H7.2ClH.Zr/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-10,14H,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyUNXGKITYQJGEJP-UHFFFAOYSA-L
XLogP-0.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride (CID 159229048) is dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride is C[SiH](C)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is UNXGKITYQJGEJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15Si.C9H7.2ClH.Zr/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-5-9-7-3-6-8(9)4-1;;;/h3-10,14H,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride?
dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 476.63 g/mol, XLogP of -0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 159229048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).