magnesium;1,3-ditert-butylbenzene;dibromide

C14H22Br2Mg — CID 174717429

IUPACmagnesium;1,3-ditert-butylbenzene;dibromide
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C14H22.2BrH.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;/h7-10H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyOGGYDQFXRSTTKL-UHFFFAOYSA-L
MW374.44 g/mol
LogP-2.09
Rot. Bonds

About magnesium;1,3-ditert-butylbenzene;dibromide

magnesium;1,3-ditert-butylbenzene;dibromide (PubChem CID 174717429) has the molecular formula C14H22Br2Mg and a molecular weight of 374.44 g/mol. Its IUPAC name is magnesium;1,3-ditert-butylbenzene;dibromide.

Molecular Properties

Compound Namemagnesium;1,3-ditert-butylbenzene;dibromide
PubChem CID174717429
Molecular FormulaC14H22Br2Mg
Molecular Weight374.44 g/mol
Exact Mass371.99
IUPAC Namemagnesium;1,3-ditert-butylbenzene;dibromide
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C14H22.2BrH.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;/h7-10H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyOGGYDQFXRSTTKL-UHFFFAOYSA-L
XLogP-2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze magnesium;1,3-ditert-butylbenzene;dibromide with MolForge

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

Launch Full Analysis

Related Compounds

alumane;1,3-ditert-butylbenzene
CID 174392215
bis(3-tert-butylphenyl)methanediamine
CID 141292033
magnesium;3-tert-butylphenolate;bromide
CID 12913334
1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 141226069
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
(3-tert-butylphenyl)azanium
CID 147404652
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
3-tert-butylaniline;hydrobromide
CID 155928054
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-ditert-butylbenzene;dibromide?
The IUPAC name of magnesium;1,3-ditert-butylbenzene;dibromide (CID 174717429) is magnesium;1,3-ditert-butylbenzene;dibromide.
What is the SMILES notation for magnesium;1,3-ditert-butylbenzene;dibromide?
The canonical SMILES for magnesium;1,3-ditert-butylbenzene;dibromide is CC(C)(C)c1cccc(C(C)(C)C)c1.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-ditert-butylbenzene;dibromide?
The InChIKey is OGGYDQFXRSTTKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22.2BrH.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;/h7-10H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1,3-ditert-butylbenzene;dibromide?
magnesium;1,3-ditert-butylbenzene;dibromide has a molecular weight of 374.44 g/mol, XLogP of -2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-ditert-butylbenzene;dibromide is sourced from PubChem (CID 174717429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).