2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride

C20H26Cl2OSiZr — CID 159488659

IUPAC2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCC[c-]1cccc1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C10H9.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-7H,8-9H2,1-3H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYVPBVJWLMGITNT-UHFFFAOYSA-L
MW472.64 g/mol
LogP-0.33
Rot. Bonds4

About 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride

2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 159488659) has the molecular formula C20H26Cl2OSiZr and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID159488659
Molecular FormulaC20H26Cl2OSiZr
Molecular Weight472.64 g/mol
Exact Mass470.02
IUPAC Name2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCC[c-]1cccc1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C10H9.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-7H,8-9H2,1-3H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYVPBVJWLMGITNT-UHFFFAOYSA-L
XLogP-0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 5-0.33
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'}

Analyze 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride with MolForge

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Related Compounds

2-cyclopenta-2,4-dien-1-ylethanol;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 159198758
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
bis(2-methyl-1H-inden-1-ide);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
CID 159743008
CID 157447863
CID 157447863
tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
CID 87936478
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
tert-butylazanide;carbanide;dichloro(methylidene)titanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane
CID 87936465
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
CID 158338912
CID 87864757
CID 87864757
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 159488659) is 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is C[Si](C)(C)OCC[c-]1cccc1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is YVPBVJWLMGITNT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17OSi.C10H9.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-7H,8-9H2,1-3H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 472.64 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylethoxy(trimethyl)silane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 159488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).