magnesium;1-methoxypropane;chloride

C4H9ClMgO — CID 139245172

IUPACmagnesium;1-methoxypropane;chloride
SMILESCC[CH-]OC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-3-4-5-2;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBZDZXJJWWKPKFK-UHFFFAOYSA-M
MW132.87 g/mol
LogP-2.17
Rot. Bonds2

About magnesium;1-methoxypropane;chloride

magnesium;1-methoxypropane;chloride (PubChem CID 139245172) has the molecular formula C4H9ClMgO and a molecular weight of 132.87 g/mol. Its IUPAC name is magnesium;1-methoxypropane;chloride.

Molecular Properties

Compound Namemagnesium;1-methoxypropane;chloride
PubChem CID139245172
Molecular FormulaC4H9ClMgO
Molecular Weight132.87 g/mol
Exact Mass132.02
IUPAC Namemagnesium;1-methoxypropane;chloride
SMILESCC[CH-]OC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-3-4-5-2;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBZDZXJJWWKPKFK-UHFFFAOYSA-M
XLogP-2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.87
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;1-methoxypropane;chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxypropane;chloride?
The IUPAC name of magnesium;1-methoxypropane;chloride (CID 139245172) is magnesium;1-methoxypropane;chloride.
What is the SMILES notation for magnesium;1-methoxypropane;chloride?
The canonical SMILES for magnesium;1-methoxypropane;chloride is CC[CH-]OC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-methoxypropane;chloride?
The InChIKey is BZDZXJJWWKPKFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.ClH.Mg/c1-3-4-5-2;;/h4H,3H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxypropane;chloride?
magnesium;1-methoxypropane;chloride has a molecular weight of 132.87 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxypropane;chloride is sourced from PubChem (CID 139245172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).