magnesium;ethoxyethane;methylbenzene;bromide

C11H17BrMgO — CID 131738980

IUPACmagnesium;ethoxyethane;methylbenzene;bromide
SMILESCCOCC.Cc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7.C4H10O.BrH.Mg/c1-7-5-3-2-4-6-7;1-3-5-4-2;;/h2-3,5-6H,1H3;3-4H2,1-2H3;1H;/q-1;;;+2/p-1
InChIKeyJOFHWVAJGMFSPX-UHFFFAOYSA-M
MW269.46 g/mol
LogP-0.54
Rot. Bonds2

About magnesium;ethoxyethane;methylbenzene;bromide

magnesium;ethoxyethane;methylbenzene;bromide (PubChem CID 131738980) has the molecular formula C11H17BrMgO and a molecular weight of 269.46 g/mol. Its IUPAC name is magnesium;ethoxyethane;methylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;ethoxyethane;methylbenzene;bromide
PubChem CID131738980
Molecular FormulaC11H17BrMgO
Molecular Weight269.46 g/mol
Exact Mass268.03
IUPAC Namemagnesium;ethoxyethane;methylbenzene;bromide
SMILESCCOCC.Cc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7.C4H10O.BrH.Mg/c1-7-5-3-2-4-6-7;1-3-5-4-2;;/h2-3,5-6H,1H3;3-4H2,1-2H3;1H;/q-1;;;+2/p-1
InChIKeyJOFHWVAJGMFSPX-UHFFFAOYSA-M
XLogP-0.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;ethoxyethane;methylbenzene;bromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;ethoxyethane;methylbenzene;bromide?
The IUPAC name of magnesium;ethoxyethane;methylbenzene;bromide (CID 131738980) is magnesium;ethoxyethane;methylbenzene;bromide.
What is the SMILES notation for magnesium;ethoxyethane;methylbenzene;bromide?
The canonical SMILES for magnesium;ethoxyethane;methylbenzene;bromide is CCOCC.Cc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;ethoxyethane;methylbenzene;bromide?
The InChIKey is JOFHWVAJGMFSPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C4H10O.BrH.Mg/c1-7-5-3-2-4-6-7;1-3-5-4-2;;/h2-3,5-6H,1H3;3-4H2,1-2H3;1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;ethoxyethane;methylbenzene;bromide?
magnesium;ethoxyethane;methylbenzene;bromide has a molecular weight of 269.46 g/mol, XLogP of -0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethoxyethane;methylbenzene;bromide is sourced from PubChem (CID 131738980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).