bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide

C12H38Cl4Co2N10O18 — CID 139080222

IUPACbis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide
SMILESCC#N.CC#N.NCCN.NCCN.NCCN.NCCN.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-]
InChIInChI=1S/4C2H8N2.2C2H3N.4ClHO4.2Co.O2/c4*3-1-2-4;2*1-2-3;4*2-1(3,4)5;;;1-2/h4*1-4H2;2*1H3;4*(H,2,3,4,5);;;/q;;;;;;;;;;2*+3;-2/p-4
InChIKeyOUVRYVOSPBETAT-UHFFFAOYSA-J
MW870.17 g/mol
LogP-24.73
Rot. Bonds4

About bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide

bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide (PubChem CID 139080222) has the molecular formula C12H38Cl4Co2N10O18 and a molecular weight of 870.17 g/mol. Its IUPAC name is bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide.

Molecular Properties

Compound Namebis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide
PubChem CID139080222
Molecular FormulaC12H38Cl4Co2N10O18
Molecular Weight870.17 g/mol
Exact Mass867.98
IUPAC Namebis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide
SMILESCC#N.CC#N.NCCN.NCCN.NCCN.NCCN.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-]
InChIInChI=1S/4C2H8N2.2C2H3N.4ClHO4.2Co.O2/c4*3-1-2-4;2*1-2-3;4*2-1(3,4)5;;;1-2/h4*1-4H2;2*1H3;4*(H,2,3,4,5);;;/q;;;;;;;;;;2*+3;-2/p-4
InChIKeyOUVRYVOSPBETAT-UHFFFAOYSA-J
XLogP-24.73
TPSA670.82 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.17
LogP ≤ 5-24.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide?
The IUPAC name of bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide (CID 139080222) is bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide.
What is the SMILES notation for bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide?
The canonical SMILES for bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide is CC#N.CC#N.NCCN.NCCN.NCCN.NCCN.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][O-].
What is the InChIKey of bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide?
The InChIKey is OUVRYVOSPBETAT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H8N2.2C2H3N.4ClHO4.2Co.O2/c4*3-1-2-4;2*1-2-3;4*2-1(3,4)5;;;1-2/h4*1-4H2;2*1H3;4*(H,2,3,4,5);;;/q;;;;;;;;;;2*+3;-2/p-4.
What are the key properties of bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide?
bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide has a molecular weight of 870.17 g/mol, XLogP of -24.73, 4 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(cobalt(3+));tetrakis(ethane-1,2-diamine);tetraperchlorate;peroxide is sourced from PubChem (CID 139080222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).