magnesium;2-methoxybutane;bromide

C5H11BrMgO — CID 13215877

IUPACmagnesium;2-methoxybutane;bromide
SMILES[Br-].[CH2-]CC(C)OC.[Mg+2]
InChIInChI=1S/C5H11O.BrH.Mg/c1-4-5(2)6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyRKTKEADAUKEWKM-UHFFFAOYSA-M
MW191.35 g/mol
LogP-2.13
Rot. Bonds2

About magnesium;2-methoxybutane;bromide

magnesium;2-methoxybutane;bromide (PubChem CID 13215877) has the molecular formula C5H11BrMgO and a molecular weight of 191.35 g/mol. Its IUPAC name is magnesium;2-methoxybutane;bromide.

Molecular Properties

Compound Namemagnesium;2-methoxybutane;bromide
PubChem CID13215877
Molecular FormulaC5H11BrMgO
Molecular Weight191.35 g/mol
Exact Mass189.98
IUPAC Namemagnesium;2-methoxybutane;bromide
SMILES[Br-].[CH2-]CC(C)OC.[Mg+2]
InChIInChI=1S/C5H11O.BrH.Mg/c1-4-5(2)6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyRKTKEADAUKEWKM-UHFFFAOYSA-M
XLogP-2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.35
LogP ≤ 5-2.13
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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methoxybutane;bromide?
The IUPAC name of magnesium;2-methoxybutane;bromide (CID 13215877) is magnesium;2-methoxybutane;bromide.
What is the SMILES notation for magnesium;2-methoxybutane;bromide?
The canonical SMILES for magnesium;2-methoxybutane;bromide is [Br-].[CH2-]CC(C)OC.[Mg+2].
What is the InChIKey of magnesium;2-methoxybutane;bromide?
The InChIKey is RKTKEADAUKEWKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O.BrH.Mg/c1-4-5(2)6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methoxybutane;bromide?
magnesium;2-methoxybutane;bromide has a molecular weight of 191.35 g/mol, XLogP of -2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methoxybutane;bromide is sourced from PubChem (CID 13215877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).