magnesium;1,2-dimethylbenzene-6-ide;iodide

C8H9IMg — CID 87227373

IUPACmagnesium;1,2-dimethylbenzene-6-ide;iodide
SMILESCc1[c-]cccc1C.[I-].[Mg+2]
InChIInChI=1S/C8H9.HI.Mg/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLDTAAEYOFHVRDL-UHFFFAOYSA-M
MW256.37 g/mol
LogP-1.27
Rot. Bonds

About magnesium;1,2-dimethylbenzene-6-ide;iodide

magnesium;1,2-dimethylbenzene-6-ide;iodide (PubChem CID 87227373) has the molecular formula C8H9IMg and a molecular weight of 256.37 g/mol. Its IUPAC name is magnesium;1,2-dimethylbenzene-6-ide;iodide.

Molecular Properties

Compound Namemagnesium;1,2-dimethylbenzene-6-ide;iodide
PubChem CID87227373
Molecular FormulaC8H9IMg
Molecular Weight256.37 g/mol
Exact Mass255.96
IUPAC Namemagnesium;1,2-dimethylbenzene-6-ide;iodide
SMILESCc1[c-]cccc1C.[I-].[Mg+2]
InChIInChI=1S/C8H9.HI.Mg/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLDTAAEYOFHVRDL-UHFFFAOYSA-M
XLogP-1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,2-dimethylbenzene-6-ide;iodide?
The IUPAC name of magnesium;1,2-dimethylbenzene-6-ide;iodide (CID 87227373) is magnesium;1,2-dimethylbenzene-6-ide;iodide.
What is the SMILES notation for magnesium;1,2-dimethylbenzene-6-ide;iodide?
The canonical SMILES for magnesium;1,2-dimethylbenzene-6-ide;iodide is Cc1[c-]cccc1C.[I-].[Mg+2].
What is the InChIKey of magnesium;1,2-dimethylbenzene-6-ide;iodide?
The InChIKey is LDTAAEYOFHVRDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.HI.Mg/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2-dimethylbenzene-6-ide;iodide?
magnesium;1,2-dimethylbenzene-6-ide;iodide has a molecular weight of 256.37 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-dimethylbenzene-6-ide;iodide is sourced from PubChem (CID 87227373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).