magnesium;cyclohexylbenzene;bromide

C12H15BrMg — CID 91656925

IUPACmagnesium;cyclohexylbenzene;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1C1CCCCC1
InChIInChI=1S/C12H15.BrH.Mg/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-4,7,12H,2,5-6,9-10H2;1H;/q-1;;+2/p-1
InChIKeyDAKVLNHXSJRVAN-UHFFFAOYSA-M
MW263.46 g/mol
LogP0.16
Rot. Bonds1

About magnesium;cyclohexylbenzene;bromide

magnesium;cyclohexylbenzene;bromide (PubChem CID 91656925) has the molecular formula C12H15BrMg and a molecular weight of 263.46 g/mol. Its IUPAC name is magnesium;cyclohexylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;cyclohexylbenzene;bromide
PubChem CID91656925
Molecular FormulaC12H15BrMg
Molecular Weight263.46 g/mol
Exact Mass262.02
IUPAC Namemagnesium;cyclohexylbenzene;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1C1CCCCC1
InChIInChI=1S/C12H15.BrH.Mg/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-4,7,12H,2,5-6,9-10H2;1H;/q-1;;+2/p-1
InChIKeyDAKVLNHXSJRVAN-UHFFFAOYSA-M
XLogP0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 50.16
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;cyclohexylbenzene;bromide?
The IUPAC name of magnesium;cyclohexylbenzene;bromide (CID 91656925) is magnesium;cyclohexylbenzene;bromide.
What is the SMILES notation for magnesium;cyclohexylbenzene;bromide?
The canonical SMILES for magnesium;cyclohexylbenzene;bromide is [Br-].[Mg+2].[c-]1ccccc1C1CCCCC1.
What is the InChIKey of magnesium;cyclohexylbenzene;bromide?
The InChIKey is DAKVLNHXSJRVAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15.BrH.Mg/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-4,7,12H,2,5-6,9-10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;cyclohexylbenzene;bromide?
magnesium;cyclohexylbenzene;bromide has a molecular weight of 263.46 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexylbenzene;bromide is sourced from PubChem (CID 91656925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).