dimagnesium;butan-1-olate;dibromide

C4H8Br2Mg2O — CID 166060204

IUPACdimagnesium;butan-1-olate;dibromide
SMILES[Br-].[Br-].[CH2-]CCC[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.2BrH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyGUFDXRJWRZVJKK-UHFFFAOYSA-L
MW280.53 g/mol
LogP-6.79
Rot. Bonds2

About dimagnesium;butan-1-olate;dibromide

dimagnesium;butan-1-olate;dibromide (PubChem CID 166060204) has the molecular formula C4H8Br2Mg2O and a molecular weight of 280.53 g/mol. Its IUPAC name is dimagnesium;butan-1-olate;dibromide.

Molecular Properties

Compound Namedimagnesium;butan-1-olate;dibromide
PubChem CID166060204
Molecular FormulaC4H8Br2Mg2O
Molecular Weight280.53 g/mol
Exact Mass277.86
IUPAC Namedimagnesium;butan-1-olate;dibromide
SMILES[Br-].[Br-].[CH2-]CCC[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.2BrH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyGUFDXRJWRZVJKK-UHFFFAOYSA-L
XLogP-6.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 5-6.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimagnesium;butan-1-olate;dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimagnesium;pentan-1-olate;dichloride
CID 166060237
dimagnesium;decan-1-olate;dichloride
CID 134889916
dimagnesium;hexane;dibromide
CID 10334549
dimagnesium;dodecane;dibromide
CID 11760597
magnesium;butane;pentan-1-olate
CID 141190772
trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
CID 161310817
potassium propan-1-olate
CID 177398361
magnesium;1-chlorobutane;bromide
CID 11063336
hexane;uranium
CID 163483777
magnesium;octadecane;bromide
CID 12546206
magnesium butan-1-ol
CID 173375874
trimagnesium;10-nonylnonadecane;tribromide
CID 23563817

Frequently Asked Questions

What is the IUPAC name of dimagnesium;butan-1-olate;dibromide?
The IUPAC name of dimagnesium;butan-1-olate;dibromide (CID 166060204) is dimagnesium;butan-1-olate;dibromide.
What is the SMILES notation for dimagnesium;butan-1-olate;dibromide?
The canonical SMILES for dimagnesium;butan-1-olate;dibromide is [Br-].[Br-].[CH2-]CCC[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butan-1-olate;dibromide?
The InChIKey is GUFDXRJWRZVJKK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.2BrH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;butan-1-olate;dibromide?
dimagnesium;butan-1-olate;dibromide has a molecular weight of 280.53 g/mol, XLogP of -6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butan-1-olate;dibromide is sourced from PubChem (CID 166060204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).