magnesium;tert-butylbenzene;bromide

C10H13BrMg — CID 4608371

IUPACmagnesium;tert-butylbenzene;bromide
SMILESCC(C)(C)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyJFWSITPEDQPZNZ-UHFFFAOYSA-M
MW237.42 g/mol
LogP-0.59
Rot. Bonds

About magnesium;tert-butylbenzene;bromide

magnesium;tert-butylbenzene;bromide (PubChem CID 4608371) has the molecular formula C10H13BrMg and a molecular weight of 237.42 g/mol. Its IUPAC name is magnesium;tert-butylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;tert-butylbenzene;bromide
PubChem CID4608371
Molecular FormulaC10H13BrMg
Molecular Weight237.42 g/mol
Exact Mass236.01
IUPAC Namemagnesium;tert-butylbenzene;bromide
SMILESCC(C)(C)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyJFWSITPEDQPZNZ-UHFFFAOYSA-M
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;tert-butylbenzene;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butylbenzene;bromide?
The IUPAC name of magnesium;tert-butylbenzene;bromide (CID 4608371) is magnesium;tert-butylbenzene;bromide.
What is the SMILES notation for magnesium;tert-butylbenzene;bromide?
The canonical SMILES for magnesium;tert-butylbenzene;bromide is CC(C)(C)c1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;tert-butylbenzene;bromide?
The InChIKey is JFWSITPEDQPZNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tert-butylbenzene;bromide?
magnesium;tert-butylbenzene;bromide has a molecular weight of 237.42 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butylbenzene;bromide is sourced from PubChem (CID 4608371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).