dimagnesium;butan-1-olate;bromide;chloride

C4H8BrClMg2O — CID 134887306

IUPACdimagnesium;butan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]CCC[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.BrH.ClH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyMZOLHVWMXIKMKJ-UHFFFAOYSA-L
MW236.07 g/mol
LogP-6.79
Rot. Bonds2

About dimagnesium;butan-1-olate;bromide;chloride

dimagnesium;butan-1-olate;bromide;chloride (PubChem CID 134887306) has the molecular formula C4H8BrClMg2O and a molecular weight of 236.07 g/mol. Its IUPAC name is dimagnesium;butan-1-olate;bromide;chloride.

Molecular Properties

Compound Namedimagnesium;butan-1-olate;bromide;chloride
PubChem CID134887306
Molecular FormulaC4H8BrClMg2O
Molecular Weight236.07 g/mol
Exact Mass233.91
IUPAC Namedimagnesium;butan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]CCC[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.BrH.ClH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyMZOLHVWMXIKMKJ-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 ≤ 500236.07
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'}

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Related Compounds

Dimagnesium;butan-1-olate;dichloride
CID 135042414
Magnesium;butan-1-olate;chloride
CID 104483
Butoxychloromagnesium
CID 6101689
Magnesium;butan-1-olate;bromide
CID 11805290
Magnesium;butan-1-olate;bromide
CID 13802611
CID 88053694
CID 88053694
Butyl hypobromite;hydrochloride
CID 162315703
Dimagnesium;butan-1-olate;dibromide
CID 166060204
Lithium;magnesium;butan-1-olate;chloride
CID 166060206
Lithium;magnesium;butan-1-olate;bromide
CID 166060212
Lithium;magnesium;butan-1-olate;bromide
CID 166060214
Dimagnesium;pentan-1-olate;bromide;chloride
CID 166060226

Frequently Asked Questions

What is the IUPAC name of dimagnesium;butan-1-olate;bromide;chloride?
The IUPAC name of dimagnesium;butan-1-olate;bromide;chloride (CID 134887306) is dimagnesium;butan-1-olate;bromide;chloride.
What is the SMILES notation for dimagnesium;butan-1-olate;bromide;chloride?
The canonical SMILES for dimagnesium;butan-1-olate;bromide;chloride is [Br-].[CH2-]CCC[O-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butan-1-olate;bromide;chloride?
The InChIKey is MZOLHVWMXIKMKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.BrH.ClH.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;bromide;chloride?
dimagnesium;butan-1-olate;bromide;chloride has a molecular weight of 236.07 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;bromide;chloride is sourced from PubChem (CID 134887306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).