diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride

C14H20Cl3PZr — CID 158338912

IUPACdiethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
SMILESCCPCC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H9.C4H11P.3ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-4-2;;;;/h2-7H,1H3;5H,3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyQALIIKPXOHCRLE-UHFFFAOYSA-K
MW416.87 g/mol
LogP-4.42
Rot. Bonds2

About diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride

diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride (PubChem CID 158338912) has the molecular formula C14H20Cl3PZr and a molecular weight of 416.87 g/mol. Its IUPAC name is diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride.

Molecular Properties

Compound Namediethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
PubChem CID158338912
Molecular FormulaC14H20Cl3PZr
Molecular Weight416.87 g/mol
Exact Mass413.94
IUPAC Namediethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
SMILESCCPCC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H9.C4H11P.3ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-4-2;;;;/h2-7H,1H3;5H,3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyQALIIKPXOHCRLE-UHFFFAOYSA-K
XLogP-4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 5-4.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
CID 173020208
CID 173020208
CID 87864757
CID 87864757
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
bis(2-methyl-1H-inden-1-ide);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
CID 159743008
dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 161077385
CID 159549239
CID 159549239
CID 87107737
CID 87107737
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342

Frequently Asked Questions

What is the IUPAC name of diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride?
The IUPAC name of diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride (CID 158338912) is diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride.
What is the SMILES notation for diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride?
The canonical SMILES for diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride is CCPCC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride?
The InChIKey is QALIIKPXOHCRLE-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H9.C4H11P.3ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-4-2;;;;/h2-7H,1H3;5H,3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3.
What are the key properties of diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride?
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride has a molecular weight of 416.87 g/mol, XLogP of -4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride is sourced from PubChem (CID 158338912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).