magnesium;diethoxymethylbenzene;bromide

C11H15BrMgO2 — CID 12882175

IUPACmagnesium;diethoxymethylbenzene;bromide
SMILESCCOC(OCC)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;;/h6-9,11H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNJPYDGZHTNPXBM-UHFFFAOYSA-M
MW283.45 g/mol
LogP-0.82
Rot. Bonds5

About magnesium;diethoxymethylbenzene;bromide

magnesium;diethoxymethylbenzene;bromide (PubChem CID 12882175) has the molecular formula C11H15BrMgO2 and a molecular weight of 283.45 g/mol. Its IUPAC name is magnesium;diethoxymethylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;diethoxymethylbenzene;bromide
PubChem CID12882175
Molecular FormulaC11H15BrMgO2
Molecular Weight283.45 g/mol
Exact Mass282.01
IUPAC Namemagnesium;diethoxymethylbenzene;bromide
SMILESCCOC(OCC)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;;/h6-9,11H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNJPYDGZHTNPXBM-UHFFFAOYSA-M
XLogP-0.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;diethoxymethylbenzene;bromide?
The IUPAC name of magnesium;diethoxymethylbenzene;bromide (CID 12882175) is magnesium;diethoxymethylbenzene;bromide.
What is the SMILES notation for magnesium;diethoxymethylbenzene;bromide?
The canonical SMILES for magnesium;diethoxymethylbenzene;bromide is CCOC(OCC)c1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;diethoxymethylbenzene;bromide?
The InChIKey is NJPYDGZHTNPXBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O2.BrH.Mg/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;;/h6-9,11H,3-4H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;diethoxymethylbenzene;bromide?
magnesium;diethoxymethylbenzene;bromide has a molecular weight of 283.45 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;diethoxymethylbenzene;bromide is sourced from PubChem (CID 12882175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).