magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride

C6H13BrMgO2 — CID 173097852

IUPACmagnesium;2-(1-bromoethyl)-1,3-dioxane;hydride
SMILESCC(Br)C1OCCCO1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11BrO2.Mg.2H/c1-5(7)6-8-3-2-4-9-6;;;/h5-6H,2-4H2,1H3;;;/q;+2;2*-1
InChIKeyDEMNMJIDNWQFAS-UHFFFAOYSA-N
MW221.38 g/mol
LogP1.38
Rot. Bonds1

About magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride

magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride (PubChem CID 173097852) has the molecular formula C6H13BrMgO2 and a molecular weight of 221.38 g/mol. Its IUPAC name is magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride.

Molecular Properties

Compound Namemagnesium;2-(1-bromoethyl)-1,3-dioxane;hydride
PubChem CID173097852
Molecular FormulaC6H13BrMgO2
Molecular Weight221.38 g/mol
Exact Mass219.99
IUPAC Namemagnesium;2-(1-bromoethyl)-1,3-dioxane;hydride
SMILESCC(Br)C1OCCCO1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11BrO2.Mg.2H/c1-5(7)6-8-3-2-4-9-6;;;/h5-6H,2-4H2,1H3;;;/q;+2;2*-1
InChIKeyDEMNMJIDNWQFAS-UHFFFAOYSA-N
XLogP1.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dioxan-2-yl)ethanethiol
CID 144550706
2-butan-2-yl-1,3-dioxane
CID 20509708
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
CID 94252080
2-(2-methylpentan-3-yl)-1,3-dioxane
CID 170568150
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
1-(1,3-dioxolan-2-yl)ethanethiol
CID 123704944
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
methane;2-methylpropane;oxetane
CID 160642963
methane;2-methyl-1,3-dioxane
CID 144526875
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride?
The IUPAC name of magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride (CID 173097852) is magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride.
What is the SMILES notation for magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride?
The canonical SMILES for magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride is CC(Br)C1OCCCO1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride?
The InChIKey is DEMNMJIDNWQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2.Mg.2H/c1-5(7)6-8-3-2-4-9-6;;;/h5-6H,2-4H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride?
magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride has a molecular weight of 221.38 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride is sourced from PubChem (CID 173097852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).