magnesium;methoxymethoxymethylbenzene;bromide

C9H11BrMgO2 — CID 15973074

IUPACmagnesium;methoxymethoxymethylbenzene;bromide
SMILESCOCOCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-10-8-11-7-9-5-3-2-4-6-9;;/h2-3,5-6H,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCRPYFPULFUQOEC-UHFFFAOYSA-M
MW255.39 g/mol
LogP-1.77
Rot. Bonds4

About magnesium;methoxymethoxymethylbenzene;bromide

magnesium;methoxymethoxymethylbenzene;bromide (PubChem CID 15973074) has the molecular formula C9H11BrMgO2 and a molecular weight of 255.39 g/mol. Its IUPAC name is magnesium;methoxymethoxymethylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;methoxymethoxymethylbenzene;bromide
PubChem CID15973074
Molecular FormulaC9H11BrMgO2
Molecular Weight255.39 g/mol
Exact Mass253.98
IUPAC Namemagnesium;methoxymethoxymethylbenzene;bromide
SMILESCOCOCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-10-8-11-7-9-5-3-2-4-6-9;;/h2-3,5-6H,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCRPYFPULFUQOEC-UHFFFAOYSA-M
XLogP-1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-ethynyl-4-(methoxymethoxymethyl)benzene
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5-(methoxymethoxymethyl)-2-methylpyridine
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2-(methoxymethoxymethyl)pyrrole-1-carbonitrile
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[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389

Frequently Asked Questions

What is the IUPAC name of magnesium;methoxymethoxymethylbenzene;bromide?
The IUPAC name of magnesium;methoxymethoxymethylbenzene;bromide (CID 15973074) is magnesium;methoxymethoxymethylbenzene;bromide.
What is the SMILES notation for magnesium;methoxymethoxymethylbenzene;bromide?
The canonical SMILES for magnesium;methoxymethoxymethylbenzene;bromide is COCOCc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;methoxymethoxymethylbenzene;bromide?
The InChIKey is CRPYFPULFUQOEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.BrH.Mg/c1-10-8-11-7-9-5-3-2-4-6-9;;/h2-3,5-6H,7-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;methoxymethoxymethylbenzene;bromide?
magnesium;methoxymethoxymethylbenzene;bromide has a molecular weight of 255.39 g/mol, XLogP of -1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methoxymethoxymethylbenzene;bromide is sourced from PubChem (CID 15973074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).