copper;tetrakis(acetonitrile);diperchlorate

C8H12Cl2CuN4O8 — CID 161459784

IUPACcopper;tetrakis(acetonitrile);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C2H3N.2ClHO4.Cu/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyWBQKEMMZVWDIKW-UHFFFAOYSA-L
MW426.66 g/mol
LogP-7.39
Rot. Bonds

About copper;tetrakis(acetonitrile);diperchlorate

copper;tetrakis(acetonitrile);diperchlorate (PubChem CID 161459784) has the molecular formula C8H12Cl2CuN4O8 and a molecular weight of 426.66 g/mol. Its IUPAC name is copper;tetrakis(acetonitrile);diperchlorate.

Molecular Properties

Compound Namecopper;tetrakis(acetonitrile);diperchlorate
PubChem CID161459784
Molecular FormulaC8H12Cl2CuN4O8
Molecular Weight426.66 g/mol
Exact Mass424.93
IUPAC Namecopper;tetrakis(acetonitrile);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C2H3N.2ClHO4.Cu/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyWBQKEMMZVWDIKW-UHFFFAOYSA-L
XLogP-7.39
TPSA279.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.66
LogP ≤ 5-7.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(acetonitrile);diperchlorate?
The IUPAC name of copper;tetrakis(acetonitrile);diperchlorate (CID 161459784) is copper;tetrakis(acetonitrile);diperchlorate.
What is the SMILES notation for copper;tetrakis(acetonitrile);diperchlorate?
The canonical SMILES for copper;tetrakis(acetonitrile);diperchlorate is CC#N.CC#N.CC#N.CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;tetrakis(acetonitrile);diperchlorate?
The InChIKey is WBQKEMMZVWDIKW-UHFFFAOYSA-L. The full InChI is InChI=1S/4C2H3N.2ClHO4.Cu/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2.
What are the key properties of copper;tetrakis(acetonitrile);diperchlorate?
copper;tetrakis(acetonitrile);diperchlorate has a molecular weight of 426.66 g/mol, XLogP of -7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(acetonitrile);diperchlorate is sourced from PubChem (CID 161459784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).