magnesium;ethane;hydron;oxolane;bromide

C6H14BrMgO+ — CID 174967125

IUPACmagnesium;ethane;hydron;oxolane;bromide
SMILESC1CCOC1.[Br-].[CH2-]C.[H+].[Mg+2]
InChIInChI=1S/C4H8O.C2H5.BrH.Mg/c1-2-4-5-3-1;1-2;;/h1-4H2;1H2,2H3;1H;/q;-1;;+2
InChIKeyLITXXWRHVSWFLU-UHFFFAOYSA-N
MW206.39 g/mol
LogP-1.63
Rot. Bonds

About magnesium;ethane;hydron;oxolane;bromide

magnesium;ethane;hydron;oxolane;bromide (PubChem CID 174967125) has the molecular formula C6H14BrMgO+ and a molecular weight of 206.39 g/mol. Its IUPAC name is magnesium;ethane;hydron;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;ethane;hydron;oxolane;bromide
PubChem CID174967125
Molecular FormulaC6H14BrMgO+
Molecular Weight206.39 g/mol
Exact Mass205.01
IUPAC Namemagnesium;ethane;hydron;oxolane;bromide
SMILESC1CCOC1.[Br-].[CH2-]C.[H+].[Mg+2]
InChIInChI=1S/C4H8O.C2H5.BrH.Mg/c1-2-4-5-3-1;1-2;;/h1-4H2;1H2,2H3;1H;/q;-1;;+2
InChIKeyLITXXWRHVSWFLU-UHFFFAOYSA-N
XLogP-1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.39
LogP ≤ 5-1.63
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

dimagnesium;bromoethane;ethane;hydride;oxolane;bromide
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1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
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magnesium;butane;oxolane;bromide
CID 131730062
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
cyclobutane;oxolane
CID 158733546

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;hydron;oxolane;bromide?
The IUPAC name of magnesium;ethane;hydron;oxolane;bromide (CID 174967125) is magnesium;ethane;hydron;oxolane;bromide.
What is the SMILES notation for magnesium;ethane;hydron;oxolane;bromide?
The canonical SMILES for magnesium;ethane;hydron;oxolane;bromide is C1CCOC1.[Br-].[CH2-]C.[H+].[Mg+2].
What is the InChIKey of magnesium;ethane;hydron;oxolane;bromide?
The InChIKey is LITXXWRHVSWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H5.BrH.Mg/c1-2-4-5-3-1;1-2;;/h1-4H2;1H2,2H3;1H;/q;-1;;+2.
What are the key properties of magnesium;ethane;hydron;oxolane;bromide?
magnesium;ethane;hydron;oxolane;bromide has a molecular weight of 206.39 g/mol, XLogP of -1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;hydron;oxolane;bromide is sourced from PubChem (CID 174967125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).