methanol;methoxyethane;nickel(2+);dibromide

C4H12Br2NiO2 — CID 173085922

IUPACmethanol;methoxyethane;nickel(2+);dibromide
SMILESCCOC.CO.[Br-].[Br-].[Ni+2]
InChIInChI=1S/C3H8O.CH4O.2BrH.Ni/c1-3-4-2;1-2;;;/h3H2,1-2H3;2H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyCXYRNCGTPRUWSF-UHFFFAOYSA-L
MW310.64 g/mol
LogP-5.73
Rot. Bonds1

About methanol;methoxyethane;nickel(2+);dibromide

methanol;methoxyethane;nickel(2+);dibromide (PubChem CID 173085922) has the molecular formula C4H12Br2NiO2 and a molecular weight of 310.64 g/mol. Its IUPAC name is methanol;methoxyethane;nickel(2+);dibromide.

Molecular Properties

Compound Namemethanol;methoxyethane;nickel(2+);dibromide
PubChem CID173085922
Molecular FormulaC4H12Br2NiO2
Molecular Weight310.64 g/mol
Exact Mass307.86
IUPAC Namemethanol;methoxyethane;nickel(2+);dibromide
SMILESCCOC.CO.[Br-].[Br-].[Ni+2]
InChIInChI=1S/C3H8O.CH4O.2BrH.Ni/c1-3-4-2;1-2;;;/h3H2,1-2H3;2H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyCXYRNCGTPRUWSF-UHFFFAOYSA-L
XLogP-5.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 5-5.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;methoxyethane;nickel(2+);dibromide?
The IUPAC name of methanol;methoxyethane;nickel(2+);dibromide (CID 173085922) is methanol;methoxyethane;nickel(2+);dibromide.
What is the SMILES notation for methanol;methoxyethane;nickel(2+);dibromide?
The canonical SMILES for methanol;methoxyethane;nickel(2+);dibromide is CCOC.CO.[Br-].[Br-].[Ni+2].
What is the InChIKey of methanol;methoxyethane;nickel(2+);dibromide?
The InChIKey is CXYRNCGTPRUWSF-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O.CH4O.2BrH.Ni/c1-3-4-2;1-2;;;/h3H2,1-2H3;2H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of methanol;methoxyethane;nickel(2+);dibromide?
methanol;methoxyethane;nickel(2+);dibromide has a molecular weight of 310.64 g/mol, XLogP of -5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methoxyethane;nickel(2+);dibromide is sourced from PubChem (CID 173085922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).