magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide

C24H35BrMg — CID 78068428

IUPACmagnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide
SMILES[Br-].[Mg+2].[c-]1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C24H35.BrH.Mg/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;/h16-17,19-21H,1-15H2;1H;/q-1;;+2/p-1
InChIKeyUJOGPMUWDYQIGX-UHFFFAOYSA-M
MW427.75 g/mol
LogP4.25
Rot. Bonds3

About magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide

magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide (PubChem CID 78068428) has the molecular formula C24H35BrMg and a molecular weight of 427.75 g/mol. Its IUPAC name is magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide
PubChem CID78068428
Molecular FormulaC24H35BrMg
Molecular Weight427.75 g/mol
Exact Mass426.18
IUPAC Namemagnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide
SMILES[Br-].[Mg+2].[c-]1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C24H35.BrH.Mg/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;/h16-17,19-21H,1-15H2;1H;/q-1;;+2/p-1
InChIKeyUJOGPMUWDYQIGX-UHFFFAOYSA-M
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.75
LogP ≤ 54.25
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;1,3,5-tricyclohexylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide (CID 78068428) is magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide is [Br-].[Mg+2].[c-]1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide?
The InChIKey is UJOGPMUWDYQIGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H35.BrH.Mg/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;/h16-17,19-21H,1-15H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide?
magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide has a molecular weight of 427.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,5-tricyclohexylbenzene-6-ide;bromide is sourced from PubChem (CID 78068428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).