magnesium;1,4-dimethylbenzene-6-ide;chloride

C8H9ClMg — CID 3018290

IUPACmagnesium;1,4-dimethylbenzene-6-ide;chloride
SMILESCc1[c-]cc(C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C8H9.ClH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVNDICGNCKNVMNG-UHFFFAOYSA-M
MW164.92 g/mol
LogP-1.27
Rot. Bonds

About magnesium;1,4-dimethylbenzene-6-ide;chloride

magnesium;1,4-dimethylbenzene-6-ide;chloride (PubChem CID 3018290) has the molecular formula C8H9ClMg and a molecular weight of 164.92 g/mol. Its IUPAC name is magnesium;1,4-dimethylbenzene-6-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,4-dimethylbenzene-6-ide;chloride
PubChem CID3018290
Molecular FormulaC8H9ClMg
Molecular Weight164.92 g/mol
Exact Mass164.02
IUPAC Namemagnesium;1,4-dimethylbenzene-6-ide;chloride
SMILESCc1[c-]cc(C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C8H9.ClH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVNDICGNCKNVMNG-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 ≤ 500164.92
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'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,4-dimethylbenzene-6-ide;chloride?
The IUPAC name of magnesium;1,4-dimethylbenzene-6-ide;chloride (CID 3018290) is magnesium;1,4-dimethylbenzene-6-ide;chloride.
What is the SMILES notation for magnesium;1,4-dimethylbenzene-6-ide;chloride?
The canonical SMILES for magnesium;1,4-dimethylbenzene-6-ide;chloride is Cc1[c-]cc(C)cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,4-dimethylbenzene-6-ide;chloride?
The InChIKey is VNDICGNCKNVMNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.ClH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,4-dimethylbenzene-6-ide;chloride?
magnesium;1,4-dimethylbenzene-6-ide;chloride has a molecular weight of 164.92 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;1,4-dimethylbenzene-6-ide;chloride is sourced from PubChem (CID 3018290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).