dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate

C12H38Co2N6O4+4 — CID 6389242

IUPACdioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate
SMILESC1CNCCNCC[N-]1.C1CNCCNCC[N-]1.O.O.[Co+2].[Co+2].[OH3+].[OH3+]
InChIInChI=1S/2C6H14N3.2Co.4H2O/c2*1-2-8-5-6-9-4-3-7-1;;;;;;/h2*7-8H,1-6H2;;;4*1H2/q2*-1;2*+2;;;;/p+2
InChIKeyKHBQYTMQTUPUPF-UHFFFAOYSA-P
MW448.34 g/mol
LogP-4.39
Rot. Bonds

About dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate

dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate (PubChem CID 6389242) has the molecular formula C12H38Co2N6O4+4 and a molecular weight of 448.34 g/mol. Its IUPAC name is dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate.

Molecular Properties

Compound Namedioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate
PubChem CID6389242
Molecular FormulaC12H38Co2N6O4+4
Molecular Weight448.34 g/mol
Exact Mass448.16
IUPAC Namedioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate
SMILESC1CNCCNCC[N-]1.C1CNCCNCC[N-]1.O.O.[Co+2].[Co+2].[OH3+].[OH3+]
InChIInChI=1S/2C6H14N3.2Co.4H2O/c2*1-2-8-5-6-9-4-3-7-1;;;;;;/h2*7-8H,1-6H2;;;4*1H2/q2*-1;2*+2;;;;/p+2
InChIKeyKHBQYTMQTUPUPF-UHFFFAOYSA-P
XLogP-4.39
TPSA205.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 5-4.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate?
The IUPAC name of dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate (CID 6389242) is dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate.
What is the SMILES notation for dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate?
The canonical SMILES for dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate is C1CNCCNCC[N-]1.C1CNCCNCC[N-]1.O.O.[Co+2].[Co+2].[OH3+].[OH3+].
What is the InChIKey of dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate?
The InChIKey is KHBQYTMQTUPUPF-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H14N3.2Co.4H2O/c2*1-2-8-5-6-9-4-3-7-1;;;;;;/h2*7-8H,1-6H2;;;4*1H2/q2*-1;2*+2;;;;/p+2.
What are the key properties of dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate?
dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate has a molecular weight of 448.34 g/mol, XLogP of -4.39, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;bis(cobalt(2+));bis(1,4-diaza-7-azanidacyclononane);dihydrate is sourced from PubChem (CID 6389242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).