dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride

C4H8BrClMg2O — CID 11436284

IUPACdimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]C(C)C[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.BrH.ClH.2Mg/c1-4(2)3-5;;;;/h4H,1,3H2,2H3;2*1H;;/q-2;;;2*+2/p-2
InChIKeySDWPXSZCUXMFPL-UHFFFAOYSA-L
MW236.07 g/mol
LogP-6.94
Rot. Bonds1

About dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride

dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride (PubChem CID 11436284) has the molecular formula C4H8BrClMg2O and a molecular weight of 236.07 g/mol. Its IUPAC name is dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride.

Molecular Properties

Compound Namedimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride
PubChem CID11436284
Molecular FormulaC4H8BrClMg2O
Molecular Weight236.07 g/mol
Exact Mass233.91
IUPAC Namedimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]C(C)C[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.BrH.ClH.2Mg/c1-4(2)3-5;;;;/h4H,1,3H2,2H3;2*1H;;/q-2;;;2*+2/p-2
InChIKeySDWPXSZCUXMFPL-UHFFFAOYSA-L
XLogP-6.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 5-6.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride?
The IUPAC name of dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride (CID 11436284) is dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride.
What is the SMILES notation for dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride?
The canonical SMILES for dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride is [Br-].[CH2-]C(C)C[O-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride?
The InChIKey is SDWPXSZCUXMFPL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.BrH.ClH.2Mg/c1-4(2)3-5;;;;/h4H,1,3H2,2H3;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride?
dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride has a molecular weight of 236.07 g/mol, XLogP of -6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride is sourced from PubChem (CID 11436284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).