magnesium;2-ethyl-1,3-dioxane;bromide

C6H11BrMgO2 — CID 11031353

IUPACmagnesium;2-ethyl-1,3-dioxane;bromide
SMILES[Br-].[CH2-]CC1OCCCO1.[Mg+2]
InChIInChI=1S/C6H11O2.BrH.Mg/c1-2-6-7-4-3-5-8-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1
InChIKeySWTDOBDFYXFIPN-UHFFFAOYSA-M
MW219.36 g/mol
LogP-2.40
Rot. Bonds1

About magnesium;2-ethyl-1,3-dioxane;bromide

magnesium;2-ethyl-1,3-dioxane;bromide (PubChem CID 11031353) has the molecular formula C6H11BrMgO2 and a molecular weight of 219.36 g/mol. Its IUPAC name is magnesium;2-ethyl-1,3-dioxane;bromide.

Molecular Properties

Compound Namemagnesium;2-ethyl-1,3-dioxane;bromide
PubChem CID11031353
Molecular FormulaC6H11BrMgO2
Molecular Weight219.36 g/mol
Exact Mass217.98
IUPAC Namemagnesium;2-ethyl-1,3-dioxane;bromide
SMILES[Br-].[CH2-]CC1OCCCO1.[Mg+2]
InChIInChI=1S/C6H11O2.BrH.Mg/c1-2-6-7-4-3-5-8-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1
InChIKeySWTDOBDFYXFIPN-UHFFFAOYSA-M
XLogP-2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;2-ethyl-1,3-dioxane;bromide with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dioxane
CID 10450
2-Bromomethyl-1,3-dioxane
CID 303683
2-Methyl-1,3-dioxane
CID 136444
2-Ethyl-1,3-dioxane
CID 4205687
2-Propyl-1,3-dioxane
CID 283981
Magnesium;2-ethyl-1,3-dioxane;chloride
CID 13792926
Bromozinc(1+) 2-(1,3-dioxan-2-yl)ethan-1-ide
CID 16216971
Methoxyethyl-1,3-dioxane
CID 21134269
2-Ethyl-1,3-dioxane;ZINC
CID 149906251
Magnesium;2-ethyl-1,3-dioxane;bromide
CID 15972502
2-(Fluoromethyl)-1,3-dioxane
CID 171762014
2-(2-Fluoroethyl)-1,3-dioxane
CID 172481736

Frequently Asked Questions

What is the IUPAC name of magnesium;2-ethyl-1,3-dioxane;bromide?
The IUPAC name of magnesium;2-ethyl-1,3-dioxane;bromide (CID 11031353) is magnesium;2-ethyl-1,3-dioxane;bromide.
What is the SMILES notation for magnesium;2-ethyl-1,3-dioxane;bromide?
The canonical SMILES for magnesium;2-ethyl-1,3-dioxane;bromide is [Br-].[CH2-]CC1OCCCO1.[Mg+2].
What is the InChIKey of magnesium;2-ethyl-1,3-dioxane;bromide?
The InChIKey is SWTDOBDFYXFIPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O2.BrH.Mg/c1-2-6-7-4-3-5-8-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-ethyl-1,3-dioxane;bromide?
magnesium;2-ethyl-1,3-dioxane;bromide has a molecular weight of 219.36 g/mol, XLogP of -2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-ethyl-1,3-dioxane;bromide is sourced from PubChem (CID 11031353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).