carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone

C12H9Co4O12 — CID 121233138

IUPACcarbon monoxide;tris(cobalt(2+));cobalt(3+);methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co+2].[Co+2].[Co+3]
InChIInChI=1S/9CHO.3CO.4Co/c12*1-2;;;;/h9*1H;;;;;;;/q9*-1;;;;3*+2;+3
InChIKeyWUQBBENUDKZSNM-UHFFFAOYSA-N
MW580.92 g/mol
LogP-2.59
Rot. Bonds

About carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone

carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone (PubChem CID 121233138) has the molecular formula C12H9Co4O12 and a molecular weight of 580.92 g/mol. Its IUPAC name is carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone.

Molecular Properties

Compound Namecarbon monoxide;tris(cobalt(2+));cobalt(3+);methanone
PubChem CID121233138
Molecular FormulaC12H9Co4O12
Molecular Weight580.92 g/mol
Exact Mass580.74
IUPAC Namecarbon monoxide;tris(cobalt(2+));cobalt(3+);methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co+2].[Co+2].[Co+3]
InChIInChI=1S/9CHO.3CO.4Co/c12*1-2;;;;/h9*1H;;;;;;;/q9*-1;;;;3*+2;+3
InChIKeyWUQBBENUDKZSNM-UHFFFAOYSA-N
XLogP-2.59
TPSA213.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.92
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 129628911
CID 129628911
Rh2co2(co)12
CID 129655528
Carbon monoxide;methanone;methylidyneoxidanium;tris(rhodium);rhodium(3+)
CID 134991947
Tri-mu-carbonyltetracarbonyl(pentacarbonyldicobalt)dirhodium
CID 44147432
Bis(iridium);bis(iridium(3+));methanone
CID 145833711
Carbon monoxide;methanone;tris(rhodium);rhodium(2+)
CID 16212430
CID 155885006
CID 155885006

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone?
The IUPAC name of carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone (CID 121233138) is carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone.
What is the SMILES notation for carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone?
The canonical SMILES for carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone is [C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co+2].[Co+2].[Co+3].
What is the InChIKey of carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone?
The InChIKey is WUQBBENUDKZSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/9CHO.3CO.4Co/c12*1-2;;;;/h9*1H;;;;;;;/q9*-1;;;;3*+2;+3.
What are the key properties of carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone?
carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone has a molecular weight of 580.92 g/mol, XLogP of -2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;tris(cobalt(2+));cobalt(3+);methanone is sourced from PubChem (CID 121233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).