magnesium 2,2-dichloropropanoate

C3H3Cl2MgO2+ — CID 22770171

IUPACmagnesium 2,2-dichloropropanoate
SMILESCC(Cl)(Cl)C(=O)[O-].[Mg+2]
InChIInChI=1S/C3H4Cl2O2.Mg/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+2/p-1
InChIKeyMHUHDFPJOYGROX-UHFFFAOYSA-M
MW166.27 g/mol
LogP-0.45
Rot. Bonds1

About magnesium 2,2-dichloropropanoate

magnesium 2,2-dichloropropanoate (PubChem CID 22770171) has the molecular formula C3H3Cl2MgO2+ and a molecular weight of 166.27 g/mol. Its IUPAC name is magnesium 2,2-dichloropropanoate.

Molecular Properties

Compound Namemagnesium 2,2-dichloropropanoate
PubChem CID22770171
Molecular FormulaC3H3Cl2MgO2+
Molecular Weight166.27 g/mol
Exact Mass164.94
IUPAC Namemagnesium 2,2-dichloropropanoate
SMILESCC(Cl)(Cl)C(=O)[O-].[Mg+2]
InChIInChI=1S/C3H4Cl2O2.Mg/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+2/p-1
InChIKeyMHUHDFPJOYGROX-UHFFFAOYSA-M
XLogP-0.45
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium 2,2-dichloropropanoate 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

2,2-dichloropropanoate;propan-2-ylazanium
CID 517027
magnesium bis(2-chloro-2,2-difluoroacetate)
CID 87738116
2,2,2-trichloroacetate acetate
CID 22770169
strontium bis(2,2,2-trichloroacetate)
CID 161000929
iodanium 2,2-dimethylpropanoate
CID 172810367
2,2-dimethylpropanoate;palladium
CID 146681285
potassium 2,2-dimethylpropanoate
CID 23662159
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
silver 2,2,2-trichloroacetate
CID 22311595
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
gallium tris(2,2,2-trichloroacetate)
CID 22604629
dialuminum;tris(2,2-dimethylpropanedioate)
CID 160958498

Frequently Asked Questions

What is the IUPAC name of magnesium 2,2-dichloropropanoate?
The IUPAC name of magnesium 2,2-dichloropropanoate (CID 22770171) is magnesium 2,2-dichloropropanoate.
What is the SMILES notation for magnesium 2,2-dichloropropanoate?
The canonical SMILES for magnesium 2,2-dichloropropanoate is CC(Cl)(Cl)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2,2-dichloropropanoate?
The InChIKey is MHUHDFPJOYGROX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4Cl2O2.Mg/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+2/p-1.
What are the key properties of magnesium 2,2-dichloropropanoate?
magnesium 2,2-dichloropropanoate has a molecular weight of 166.27 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2,2-dichloropropanoate is sourced from PubChem (CID 22770171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).