bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride

C12H20Cl2N4O4Pt — CID 25003900

IUPACbis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride
SMILESCC(C)(CCC#N)[N+](=O)[O-].CC(C)(CCC#N)[N+](=O)[O-].[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C6H10N2O2.2ClH.Pt/c2*1-6(2,8(9)10)4-3-5-7;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyBZOVMXSZNPUBKD-UHFFFAOYSA-L
MW550.30 g/mol
LogP-3.30
Rot. Bonds6

About bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride

bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride (PubChem CID 25003900) has the molecular formula C12H20Cl2N4O4Pt and a molecular weight of 550.30 g/mol. Its IUPAC name is bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride.

Molecular Properties

Compound Namebis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride
PubChem CID25003900
Molecular FormulaC12H20Cl2N4O4Pt
Molecular Weight550.30 g/mol
Exact Mass549.05
IUPAC Namebis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride
SMILESCC(C)(CCC#N)[N+](=O)[O-].CC(C)(CCC#N)[N+](=O)[O-].[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C6H10N2O2.2ClH.Pt/c2*1-6(2,8(9)10)4-3-5-7;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyBZOVMXSZNPUBKD-UHFFFAOYSA-L
XLogP-3.30
TPSA133.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.30
LogP ≤ 5-3.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride?
The IUPAC name of bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride (CID 25003900) is bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride.
What is the SMILES notation for bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride?
The canonical SMILES for bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride is CC(C)(CCC#N)[N+](=O)[O-].CC(C)(CCC#N)[N+](=O)[O-].[Cl-].[Cl-].[Pt+2].
What is the InChIKey of bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride?
The InChIKey is BZOVMXSZNPUBKD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10N2O2.2ClH.Pt/c2*1-6(2,8(9)10)4-3-5-7;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride?
bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride has a molecular weight of 550.30 g/mol, XLogP of -3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-4-nitropentanenitrile);platinum(2+);dichloride is sourced from PubChem (CID 25003900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).