dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)

C24H30SiZr-4 — CID 173275600

IUPACdimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
SMILESC[Si](C)=[Zr].[CH2-]C.[CH2-]C.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H6Si.2C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;2*1-2;/h2*1-7H;1-2H3;2*1H2,2H3;/q2*-1;;2*-1;
InChIKeyICJLDEOXOLIOLI-UHFFFAOYSA-N
MW437.81 g/mol
LogP7.58
Rot. Bonds

About dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)

dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide) (PubChem CID 173275600) has the molecular formula C24H30SiZr-4 and a molecular weight of 437.81 g/mol. Its IUPAC name is dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide).

Molecular Properties

Compound Namedimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
PubChem CID173275600
Molecular FormulaC24H30SiZr-4
Molecular Weight437.81 g/mol
Exact Mass436.12
IUPAC Namedimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
SMILESC[Si](C)=[Zr].[CH2-]C.[CH2-]C.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H6Si.2C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;2*1-2;/h2*1-7H;1-2H3;2*1H2,2H3;/q2*-1;;2*-1;
InChIKeyICJLDEOXOLIOLI-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 57.58
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

chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
dimethylsilylidenethorium(2+);bis(1H-inden-1-ide)
CID 173292725
carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
CID 173073512
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931
bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride
CID 172718610
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
magnesium;1H-inden-1-ide;bromide
CID 12823996
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)?
The IUPAC name of dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide) (CID 173275600) is dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide).
What is the SMILES notation for dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)?
The canonical SMILES for dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide) is C[Si](C)=[Zr].[CH2-]C.[CH2-]C.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)?
The InChIKey is ICJLDEOXOLIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C2H6Si.2C2H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;2*1-2;/h2*1-7H;1-2H3;2*1H2,2H3;/q2*-1;;2*-1;.
What are the key properties of dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)?
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide) has a molecular weight of 437.81 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide) is sourced from PubChem (CID 173275600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).