magnesium;methoxymethane;1-methoxypropane;chloride

C8H21ClMgO3 — CID 139245167

IUPACmagnesium;methoxymethane;1-methoxypropane;chloride
SMILESCC[CH-]OC.COC.COC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.2C2H6O.ClH.Mg/c1-3-4-5-2;2*1-3-2;;/h4H,3H2,1-2H3;2*1-2H3;1H;/q-1;;;;+2/p-1
InChIKeyXEEZGNGYMIQNAQ-UHFFFAOYSA-M
MW225.01 g/mol
LogP-1.65
Rot. Bonds2

About magnesium;methoxymethane;1-methoxypropane;chloride

magnesium;methoxymethane;1-methoxypropane;chloride (PubChem CID 139245167) has the molecular formula C8H21ClMgO3 and a molecular weight of 225.01 g/mol. Its IUPAC name is magnesium;methoxymethane;1-methoxypropane;chloride.

Molecular Properties

Compound Namemagnesium;methoxymethane;1-methoxypropane;chloride
PubChem CID139245167
Molecular FormulaC8H21ClMgO3
Molecular Weight225.01 g/mol
Exact Mass224.10
IUPAC Namemagnesium;methoxymethane;1-methoxypropane;chloride
SMILESCC[CH-]OC.COC.COC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.2C2H6O.ClH.Mg/c1-3-4-5-2;2*1-3-2;;/h4H,3H2,1-2H3;2*1-2H3;1H;/q-1;;;;+2/p-1
InChIKeyXEEZGNGYMIQNAQ-UHFFFAOYSA-M
XLogP-1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;methoxymethane;1-methoxypropane;chloride?
The IUPAC name of magnesium;methoxymethane;1-methoxypropane;chloride (CID 139245167) is magnesium;methoxymethane;1-methoxypropane;chloride.
What is the SMILES notation for magnesium;methoxymethane;1-methoxypropane;chloride?
The canonical SMILES for magnesium;methoxymethane;1-methoxypropane;chloride is CC[CH-]OC.COC.COC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;methoxymethane;1-methoxypropane;chloride?
The InChIKey is XEEZGNGYMIQNAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.2C2H6O.ClH.Mg/c1-3-4-5-2;2*1-3-2;;/h4H,3H2,1-2H3;2*1-2H3;1H;/q-1;;;;+2/p-1.
What are the key properties of magnesium;methoxymethane;1-methoxypropane;chloride?
magnesium;methoxymethane;1-methoxypropane;chloride has a molecular weight of 225.01 g/mol, XLogP of -1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methoxymethane;1-methoxypropane;chloride is sourced from PubChem (CID 139245167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).