magnesium;2-methylpropan-1-olate;chloride

C4H9ClMgO — CID 14418996

IUPACmagnesium;2-methylpropan-1-olate;chloride
SMILESCC(C)C[O-].[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-4(2)3-5;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIXUQHZKXQCGDFB-UHFFFAOYSA-M
MW132.87 g/mol
LogP-3.37
Rot. Bonds1

About magnesium;2-methylpropan-1-olate;chloride

magnesium;2-methylpropan-1-olate;chloride (PubChem CID 14418996) has the molecular formula C4H9ClMgO and a molecular weight of 132.87 g/mol. Its IUPAC name is magnesium;2-methylpropan-1-olate;chloride.

Molecular Properties

Compound Namemagnesium;2-methylpropan-1-olate;chloride
PubChem CID14418996
Molecular FormulaC4H9ClMgO
Molecular Weight132.87 g/mol
Exact Mass132.02
IUPAC Namemagnesium;2-methylpropan-1-olate;chloride
SMILESCC(C)C[O-].[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-4(2)3-5;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIXUQHZKXQCGDFB-UHFFFAOYSA-M
XLogP-3.37
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.87
LogP ≤ 5-3.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
Magnesium;2-methylpropan-1-olate;bromide
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Chloro(3-methylbutan-1-olato)magnesium
CID 113485
Chloro(2-methylpropan-1-olato)magnesium
CID 90659603
Magnesium;2-methanidyl-1-methoxypropane;chloride
CID 135035708
CID 71328915
CID 71328915
2-Methylpropan-1-olate;titanium(3+);dichloride
CID 170847369
dimagnesium;(2R)-2-methanidylpropan-1-olate;bromide;chloride
CID 11436284
Magnesium;ethanolate;2-methylpropan-1-olate
CID 18702161
2-Methylpropyl chlorate
CID 20072363
2-Methylpropyl hypochlorite
CID 20377285

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpropan-1-olate;chloride?
The IUPAC name of magnesium;2-methylpropan-1-olate;chloride (CID 14418996) is magnesium;2-methylpropan-1-olate;chloride.
What is the SMILES notation for magnesium;2-methylpropan-1-olate;chloride?
The canonical SMILES for magnesium;2-methylpropan-1-olate;chloride is CC(C)C[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methylpropan-1-olate;chloride?
The InChIKey is IXUQHZKXQCGDFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.ClH.Mg/c1-4(2)3-5;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methylpropan-1-olate;chloride?
magnesium;2-methylpropan-1-olate;chloride has a molecular weight of 132.87 g/mol, XLogP of -3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropan-1-olate;chloride is sourced from PubChem (CID 14418996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).