cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate

C10H20Br4Co2N2O6Re2-6 — CID 158329949

IUPACcobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate
SMILESBr[Re]Br.Br[Re]Br.C.CCC.O.O.[C-]#N.[C-]#N.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co]
InChIInChI=1S/C3H8.2CN.4CHO.CH4.4BrH.2Co.2H2O.2Re/c1-3-2;6*1-2;;;;;;;;;;;/h3H2,1-2H3;;;4*1H;1H4;4*1H;;;2*1H2;;/q;6*-1;;;;;;;;;;2*+2/p-4
InChIKeyFEFBYOMSTKKLQY-UHFFFAOYSA-J
MW1074.17 g/mol
LogP2.87
Rot. Bonds

About cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate

cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate (PubChem CID 158329949) has the molecular formula C10H20Br4Co2N2O6Re2-6 and a molecular weight of 1074.17 g/mol. Its IUPAC name is cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate.

Molecular Properties

Compound Namecobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate
PubChem CID158329949
Molecular FormulaC10H20Br4Co2N2O6Re2-6
Molecular Weight1074.17 g/mol
Exact Mass1071.59
IUPAC Namecobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate
SMILESBr[Re]Br.Br[Re]Br.C.CCC.O.O.[C-]#N.[C-]#N.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co]
InChIInChI=1S/C3H8.2CN.4CHO.CH4.4BrH.2Co.2H2O.2Re/c1-3-2;6*1-2;;;;;;;;;;;/h3H2,1-2H3;;;4*1H;1H4;4*1H;;;2*1H2;;/q;6*-1;;;;;;;;;;2*+2/p-4
InChIKeyFEFBYOMSTKKLQY-UHFFFAOYSA-J
XLogP2.87
TPSA178.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001074.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate?
The IUPAC name of cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate (CID 158329949) is cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate.
What is the SMILES notation for cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate?
The canonical SMILES for cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate is Br[Re]Br.Br[Re]Br.C.CCC.O.O.[C-]#N.[C-]#N.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co].
What is the InChIKey of cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate?
The InChIKey is FEFBYOMSTKKLQY-UHFFFAOYSA-J. The full InChI is InChI=1S/C3H8.2CN.4CHO.CH4.4BrH.2Co.2H2O.2Re/c1-3-2;6*1-2;;;;;;;;;;;/h3H2,1-2H3;;;4*1H;1H4;4*1H;;;2*1H2;;/q;6*-1;;;;;;;;;;2*+2/p-4.
What are the key properties of cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate?
cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate has a molecular weight of 1074.17 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(dibromorhenium);methane;methanone;propane;dicyanide;dihydrate is sourced from PubChem (CID 158329949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).