magnesium;dimethoxymethylbenzene;bromide

C9H11BrMgO2 — CID 54679304

IUPACmagnesium;dimethoxymethylbenzene;bromide
SMILESCOC(OC)c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-10-9(11-2)8-6-4-3-5-7-8;;/h3-6,9H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPFPAVBWVWNDWPF-UHFFFAOYSA-M
MW255.39 g/mol
LogP-1.60
Rot. Bonds3

About magnesium;dimethoxymethylbenzene;bromide

magnesium;dimethoxymethylbenzene;bromide (PubChem CID 54679304) has the molecular formula C9H11BrMgO2 and a molecular weight of 255.39 g/mol. Its IUPAC name is magnesium;dimethoxymethylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;dimethoxymethylbenzene;bromide
PubChem CID54679304
Molecular FormulaC9H11BrMgO2
Molecular Weight255.39 g/mol
Exact Mass253.98
IUPAC Namemagnesium;dimethoxymethylbenzene;bromide
SMILESCOC(OC)c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-10-9(11-2)8-6-4-3-5-7-8;;/h3-6,9H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPFPAVBWVWNDWPF-UHFFFAOYSA-M
XLogP-1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 5-1.60
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;dimethoxymethylbenzene;bromide?
The IUPAC name of magnesium;dimethoxymethylbenzene;bromide (CID 54679304) is magnesium;dimethoxymethylbenzene;bromide.
What is the SMILES notation for magnesium;dimethoxymethylbenzene;bromide?
The canonical SMILES for magnesium;dimethoxymethylbenzene;bromide is COC(OC)c1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;dimethoxymethylbenzene;bromide?
The InChIKey is PFPAVBWVWNDWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.BrH.Mg/c1-10-9(11-2)8-6-4-3-5-7-8;;/h3-6,9H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;dimethoxymethylbenzene;bromide?
magnesium;dimethoxymethylbenzene;bromide has a molecular weight of 255.39 g/mol, XLogP of -1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dimethoxymethylbenzene;bromide is sourced from PubChem (CID 54679304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).