dimagnesium;bromoethane;ethane;hydride;oxolane;bromide

C8H20Br2Mg2O — CID 159570648

IUPACdimagnesium;bromoethane;ethane;hydride;oxolane;bromide
SMILESC1CCOC1.CCBr.[Br-].[CH2-]C.[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.C2H5Br.C2H5.BrH.2Mg.2H/c1-2-4-5-3-1;1-2-3;1-2;;;;;/h1-4H2;2H2,1H3;1H2,2H3;1H;;;;/q;;-1;;2*+2;2*-1/p-1
InChIKeyXZUCSPQZVDDENU-UHFFFAOYSA-M
MW340.67 g/mol
LogP-0.49
Rot. Bonds

About dimagnesium;bromoethane;ethane;hydride;oxolane;bromide

dimagnesium;bromoethane;ethane;hydride;oxolane;bromide (PubChem CID 159570648) has the molecular formula C8H20Br2Mg2O and a molecular weight of 340.67 g/mol. Its IUPAC name is dimagnesium;bromoethane;ethane;hydride;oxolane;bromide.

Molecular Properties

Compound Namedimagnesium;bromoethane;ethane;hydride;oxolane;bromide
PubChem CID159570648
Molecular FormulaC8H20Br2Mg2O
Molecular Weight340.67 g/mol
Exact Mass337.96
IUPAC Namedimagnesium;bromoethane;ethane;hydride;oxolane;bromide
SMILESC1CCOC1.CCBr.[Br-].[CH2-]C.[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.C2H5Br.C2H5.BrH.2Mg.2H/c1-2-4-5-3-1;1-2-3;1-2;;;;;/h1-4H2;2H2,1H3;1H2,2H3;1H;;;;/q;;-1;;2*+2;2*-1/p-1
InChIKeyXZUCSPQZVDDENU-UHFFFAOYSA-M
XLogP-0.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;bromoethane;ethane;hydride;oxolane;bromide?
The IUPAC name of dimagnesium;bromoethane;ethane;hydride;oxolane;bromide (CID 159570648) is dimagnesium;bromoethane;ethane;hydride;oxolane;bromide.
What is the SMILES notation for dimagnesium;bromoethane;ethane;hydride;oxolane;bromide?
The canonical SMILES for dimagnesium;bromoethane;ethane;hydride;oxolane;bromide is C1CCOC1.CCBr.[Br-].[CH2-]C.[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;bromoethane;ethane;hydride;oxolane;bromide?
The InChIKey is XZUCSPQZVDDENU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.C2H5Br.C2H5.BrH.2Mg.2H/c1-2-4-5-3-1;1-2-3;1-2;;;;;/h1-4H2;2H2,1H3;1H2,2H3;1H;;;;/q;;-1;;2*+2;2*-1/p-1.
What are the key properties of dimagnesium;bromoethane;ethane;hydride;oxolane;bromide?
dimagnesium;bromoethane;ethane;hydride;oxolane;bromide has a molecular weight of 340.67 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;bromoethane;ethane;hydride;oxolane;bromide is sourced from PubChem (CID 159570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).