magnesium;1,1,1,2,2-pentadeuterioethane;bromide

C2H5BrMg — CID 15620945

IUPACmagnesium;1,1,1,2,2-pentadeuterioethane;bromide
SMILES[2H][C-]([2H])C([2H])([2H])[2H].[Br-].[Mg+2]
InChIInChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1D2,2D3;;
InChIKeyFRIJBUGBVQZNTB-JOTLNHQDSA-M
MW138.30 g/mol
LogP-2.54
Rot. Bonds1

About magnesium;1,1,1,2,2-pentadeuterioethane;bromide

magnesium;1,1,1,2,2-pentadeuterioethane;bromide (PubChem CID 15620945) has the molecular formula C2H5BrMg and a molecular weight of 138.30 g/mol. Its IUPAC name is magnesium;1,1,1,2,2-pentadeuterioethane;bromide.

Molecular Properties

Compound Namemagnesium;1,1,1,2,2-pentadeuterioethane;bromide
PubChem CID15620945
Molecular FormulaC2H5BrMg
Molecular Weight138.30 g/mol
Exact Mass136.97
IUPAC Namemagnesium;1,1,1,2,2-pentadeuterioethane;bromide
SMILES[2H][C-]([2H])C([2H])([2H])[2H].[Br-].[Mg+2]
InChIInChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1D2,2D3;;
InChIKeyFRIJBUGBVQZNTB-JOTLNHQDSA-M
XLogP-2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.30
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;1,1,1,2,2-pentadeuterioethane;bromide?
The IUPAC name of magnesium;1,1,1,2,2-pentadeuterioethane;bromide (CID 15620945) is magnesium;1,1,1,2,2-pentadeuterioethane;bromide.
What is the SMILES notation for magnesium;1,1,1,2,2-pentadeuterioethane;bromide?
The canonical SMILES for magnesium;1,1,1,2,2-pentadeuterioethane;bromide is [2H][C-]([2H])C([2H])([2H])[2H].[Br-].[Mg+2].
What is the InChIKey of magnesium;1,1,1,2,2-pentadeuterioethane;bromide?
The InChIKey is FRIJBUGBVQZNTB-JOTLNHQDSA-M. The full InChI is InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1D2,2D3;;.
What are the key properties of magnesium;1,1,1,2,2-pentadeuterioethane;bromide?
magnesium;1,1,1,2,2-pentadeuterioethane;bromide has a molecular weight of 138.30 g/mol, XLogP of -2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,1,1,2,2-pentadeuterioethane;bromide is sourced from PubChem (CID 15620945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).