magnesium;2,2,3,5,5-pentamethylhexane;bromide

C11H23BrMg — CID 18798532

IUPACmagnesium;2,2,3,5,5-pentamethylhexane;bromide
SMILESC[C-](CC(C)(C)C)C(C)(C)C.[Br-].[Mg+2]
InChIInChI=1S/C11H23.BrH.Mg/c1-9(11(5,6)7)8-10(2,3)4;;/h8H2,1-7H3;1H;/q-1;;+2/p-1
InChIKeyDTMUKVAAPGSPTQ-UHFFFAOYSA-M
MW259.51 g/mol
LogP0.69
Rot. Bonds1

About magnesium;2,2,3,5,5-pentamethylhexane;bromide

magnesium;2,2,3,5,5-pentamethylhexane;bromide (PubChem CID 18798532) has the molecular formula C11H23BrMg and a molecular weight of 259.51 g/mol. Its IUPAC name is magnesium;2,2,3,5,5-pentamethylhexane;bromide.

Molecular Properties

Compound Namemagnesium;2,2,3,5,5-pentamethylhexane;bromide
PubChem CID18798532
Molecular FormulaC11H23BrMg
Molecular Weight259.51 g/mol
Exact Mass258.08
IUPAC Namemagnesium;2,2,3,5,5-pentamethylhexane;bromide
SMILESC[C-](CC(C)(C)C)C(C)(C)C.[Br-].[Mg+2]
InChIInChI=1S/C11H23.BrH.Mg/c1-9(11(5,6)7)8-10(2,3)4;;/h8H2,1-7H3;1H;/q-1;;+2/p-1
InChIKeyDTMUKVAAPGSPTQ-UHFFFAOYSA-M
XLogP0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.51
LogP ≤ 50.69
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;2,2,3,5,5-pentamethylhexane;bromide?
The IUPAC name of magnesium;2,2,3,5,5-pentamethylhexane;bromide (CID 18798532) is magnesium;2,2,3,5,5-pentamethylhexane;bromide.
What is the SMILES notation for magnesium;2,2,3,5,5-pentamethylhexane;bromide?
The canonical SMILES for magnesium;2,2,3,5,5-pentamethylhexane;bromide is C[C-](CC(C)(C)C)C(C)(C)C.[Br-].[Mg+2].
What is the InChIKey of magnesium;2,2,3,5,5-pentamethylhexane;bromide?
The InChIKey is DTMUKVAAPGSPTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23.BrH.Mg/c1-9(11(5,6)7)8-10(2,3)4;;/h8H2,1-7H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2,2,3,5,5-pentamethylhexane;bromide?
magnesium;2,2,3,5,5-pentamethylhexane;bromide has a molecular weight of 259.51 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2,3,5,5-pentamethylhexane;bromide is sourced from PubChem (CID 18798532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).