dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)

C16H20Cl2N4Ru — CID 22748588

IUPACdichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
SMILESC=C(C)C#N.C=C(C)C#N.C=C(C)C#N.C=C(C)C#N.Cl[Ru]Cl
InChIInChI=1S/4C4H5N.2ClH.Ru/c4*1-4(2)3-5;;;/h4*1H2,2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyDOZCJLHGGRQHFH-UHFFFAOYSA-L
MW440.34 g/mol
LogP5.72
Rot. Bonds

About dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)

dichlororuthenium;tetrakis(2-methylprop-2-enenitrile) (PubChem CID 22748588) has the molecular formula C16H20Cl2N4Ru and a molecular weight of 440.34 g/mol. Its IUPAC name is dichlororuthenium;tetrakis(2-methylprop-2-enenitrile).

Molecular Properties

Compound Namedichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
PubChem CID22748588
Molecular FormulaC16H20Cl2N4Ru
Molecular Weight440.34 g/mol
Exact Mass440.01
IUPAC Namedichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
SMILESC=C(C)C#N.C=C(C)C#N.C=C(C)C#N.C=C(C)C#N.Cl[Ru]Cl
InChIInChI=1S/4C4H5N.2ClH.Ru/c4*1-4(2)3-5;;;/h4*1H2,2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyDOZCJLHGGRQHFH-UHFFFAOYSA-L
XLogP5.72
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)?
The IUPAC name of dichlororuthenium;tetrakis(2-methylprop-2-enenitrile) (CID 22748588) is dichlororuthenium;tetrakis(2-methylprop-2-enenitrile).
What is the SMILES notation for dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)?
The canonical SMILES for dichlororuthenium;tetrakis(2-methylprop-2-enenitrile) is C=C(C)C#N.C=C(C)C#N.C=C(C)C#N.C=C(C)C#N.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)?
The InChIKey is DOZCJLHGGRQHFH-UHFFFAOYSA-L. The full InChI is InChI=1S/4C4H5N.2ClH.Ru/c4*1-4(2)3-5;;;/h4*1H2,2H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)?
dichlororuthenium;tetrakis(2-methylprop-2-enenitrile) has a molecular weight of 440.34 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tetrakis(2-methylprop-2-enenitrile) is sourced from PubChem (CID 22748588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).