cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride

C19H26Cl2O2Si2Zr-2 — CID 159392494

IUPACcyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])OCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H14O2Si2.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-8-6-5-7-9(2,3)4;1-2-4-5-3-1;;;/h1-7H;5H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyDHWYMTGOCNWPHO-UHFFFAOYSA-L
MW504.72 g/mol
LogP-0.55
Rot. Bonds4

About cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride

cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride (PubChem CID 159392494) has the molecular formula C19H26Cl2O2Si2Zr-2 and a molecular weight of 504.72 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride
PubChem CID159392494
Molecular FormulaC19H26Cl2O2Si2Zr-2
Molecular Weight504.72 g/mol
Exact Mass501.99
IUPAC Namecyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])OCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H14O2Si2.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-8-6-5-7-9(2,3)4;1-2-4-5-3-1;;;/h1-7H;5H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyDHWYMTGOCNWPHO-UHFFFAOYSA-L
XLogP-0.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158136527
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
cyclopenta-1,3-diene;4-hydroxybutan-2-ylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 157201954
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride (CID 159392494) is cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride is C[Si](=[Zr+2])OCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride?
The InChIKey is DHWYMTGOCNWPHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H14O2Si2.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-8-6-5-7-9(2,3)4;1-2-4-5-3-1;;;/h1-7H;5H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride?
cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride has a molecular weight of 504.72 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride is sourced from PubChem (CID 159392494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).