triethylphosphane;zirconium(2+);dichloride

C6H15Cl2PZr — CID 159860851

IUPACtriethylphosphane;zirconium(2+);dichloride
SMILESCCP(CC)CC.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C6H15P.2ClH.Zr/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNRCWBINXBKCQPS-UHFFFAOYSA-L
MW280.29 g/mol
LogP-3.47
Rot. Bonds3

About triethylphosphane;zirconium(2+);dichloride

triethylphosphane;zirconium(2+);dichloride (PubChem CID 159860851) has the molecular formula C6H15Cl2PZr and a molecular weight of 280.29 g/mol. Its IUPAC name is triethylphosphane;zirconium(2+);dichloride.

Molecular Properties

Compound Nametriethylphosphane;zirconium(2+);dichloride
PubChem CID159860851
Molecular FormulaC6H15Cl2PZr
Molecular Weight280.29 g/mol
Exact Mass277.93
IUPAC Nametriethylphosphane;zirconium(2+);dichloride
SMILESCCP(CC)CC.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C6H15P.2ClH.Zr/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNRCWBINXBKCQPS-UHFFFAOYSA-L
XLogP-3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-3.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylphosphane;zirconium(2+);dichloride?
The IUPAC name of triethylphosphane;zirconium(2+);dichloride (CID 159860851) is triethylphosphane;zirconium(2+);dichloride.
What is the SMILES notation for triethylphosphane;zirconium(2+);dichloride?
The canonical SMILES for triethylphosphane;zirconium(2+);dichloride is CCP(CC)CC.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of triethylphosphane;zirconium(2+);dichloride?
The InChIKey is NRCWBINXBKCQPS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15P.2ClH.Zr/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of triethylphosphane;zirconium(2+);dichloride?
triethylphosphane;zirconium(2+);dichloride has a molecular weight of 280.29 g/mol, XLogP of -3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylphosphane;zirconium(2+);dichloride is sourced from PubChem (CID 159860851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).