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

C8H9ClMg — CID 78061659

IUPACmagnesium;1,2-dimethylbenzene-6-ide;chloride
SMILESCc1[c-]cccc1C.[Cl-].[Mg+2]
InChIInChI=1S/C8H9.ClH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyAPUBJCIRKJZPCG-UHFFFAOYSA-M
MW164.92 g/mol
LogP-1.27
Rot. Bonds

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

magnesium;1,2-dimethylbenzene-6-ide;chloride (PubChem CID 78061659) has the molecular formula C8H9ClMg and a molecular weight of 164.92 g/mol. Its IUPAC name is magnesium;1,2-dimethylbenzene-6-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,2-dimethylbenzene-6-ide;chloride
PubChem CID78061659
Molecular FormulaC8H9ClMg
Molecular Weight164.92 g/mol
Exact Mass164.02
IUPAC Namemagnesium;1,2-dimethylbenzene-6-ide;chloride
SMILESCc1[c-]cccc1C.[Cl-].[Mg+2]
InChIInChI=1S/C8H9.ClH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyAPUBJCIRKJZPCG-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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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
2-Methyl-1,3-cyclohexadiene
CID 73885
Alloocimene, (4E,6Z)-
CID 5371125
Dimethylhexadiene
CID 6365525
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Alloocimene, (4Z,6Z)-
CID 5317469

Frequently Asked Questions

What is the IUPAC name of magnesium;1,2-dimethylbenzene-6-ide;chloride?
The IUPAC name of magnesium;1,2-dimethylbenzene-6-ide;chloride (CID 78061659) is magnesium;1,2-dimethylbenzene-6-ide;chloride.
What is the SMILES notation for magnesium;1,2-dimethylbenzene-6-ide;chloride?
The canonical SMILES for magnesium;1,2-dimethylbenzene-6-ide;chloride is Cc1[c-]cccc1C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,2-dimethylbenzene-6-ide;chloride?
The InChIKey is APUBJCIRKJZPCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.ClH.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;chloride?
magnesium;1,2-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;1,2-dimethylbenzene-6-ide;chloride is sourced from PubChem (CID 78061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).