magnesium;1-methoxypropane;bromide

C4H9BrMgO — CID 12746995

IUPACmagnesium;1-methoxypropane;bromide
SMILES[Br-].[CH2-]CCOC.[Mg+2]
InChIInChI=1S/C4H9O.BrH.Mg/c1-3-4-5-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYADSQVVJGJHEMZ-UHFFFAOYSA-M
MW177.32 g/mol
LogP-2.52
Rot. Bonds2

About magnesium;1-methoxypropane;bromide

magnesium;1-methoxypropane;bromide (PubChem CID 12746995) has the molecular formula C4H9BrMgO and a molecular weight of 177.32 g/mol. Its IUPAC name is magnesium;1-methoxypropane;bromide.

Molecular Properties

Compound Namemagnesium;1-methoxypropane;bromide
PubChem CID12746995
Molecular FormulaC4H9BrMgO
Molecular Weight177.32 g/mol
Exact Mass175.97
IUPAC Namemagnesium;1-methoxypropane;bromide
SMILES[Br-].[CH2-]CCOC.[Mg+2]
InChIInChI=1S/C4H9O.BrH.Mg/c1-3-4-5-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYADSQVVJGJHEMZ-UHFFFAOYSA-M
XLogP-2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 5-2.52
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

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CID 11182
3-Ethoxypropylmagnesium bromide
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Magnesium chloride 3-methoxypropan-1-ide (1/1/1)
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Ethoxyethylmagnesium bromide
CID 129779267
(1-Methoxypropyl)magnesium chloride
CID 139245172
CID 178251695
CID 178251695
Magnesium;butan-1-olate;bromide
CID 11805290
CID 12660725
CID 12660725
CID 12660732
CID 12660732
Magnesium;2-methoxybutane;bromide
CID 13215877
Magnesium;butan-1-olate;bromide
CID 13802611
CID 15657318
CID 15657318

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxypropane;bromide?
The IUPAC name of magnesium;1-methoxypropane;bromide (CID 12746995) is magnesium;1-methoxypropane;bromide.
What is the SMILES notation for magnesium;1-methoxypropane;bromide?
The canonical SMILES for magnesium;1-methoxypropane;bromide is [Br-].[CH2-]CCOC.[Mg+2].
What is the InChIKey of magnesium;1-methoxypropane;bromide?
The InChIKey is YADSQVVJGJHEMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.BrH.Mg/c1-3-4-5-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxypropane;bromide?
magnesium;1-methoxypropane;bromide has a molecular weight of 177.32 g/mol, XLogP of -2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxypropane;bromide is sourced from PubChem (CID 12746995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).