magnesium;hexane;bromide

C6H13BrMg — CID 24939902

IUPACmagnesium;hexane;bromide
SMILESCC[CH-]CCC.[Br-].[Mg+2]
InChIInChI=1S/C6H13.BrH.Mg/c1-3-5-6-4-2;;/h5H,3-4,6H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyCYPLKVAUUZBVIC-UHFFFAOYSA-M
MW189.38 g/mol
LogP-0.98
Rot. Bonds3

About magnesium;hexane;bromide

magnesium;hexane;bromide (PubChem CID 24939902) has the molecular formula C6H13BrMg and a molecular weight of 189.38 g/mol. Its IUPAC name is magnesium;hexane;bromide.

Molecular Properties

Compound Namemagnesium;hexane;bromide
PubChem CID24939902
Molecular FormulaC6H13BrMg
Molecular Weight189.38 g/mol
Exact Mass188.01
IUPAC Namemagnesium;hexane;bromide
SMILESCC[CH-]CCC.[Br-].[Mg+2]
InChIInChI=1S/C6H13.BrH.Mg/c1-3-5-6-4-2;;/h5H,3-4,6H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyCYPLKVAUUZBVIC-UHFFFAOYSA-M
XLogP-0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.38
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;hexane;bromide?
The IUPAC name of magnesium;hexane;bromide (CID 24939902) is magnesium;hexane;bromide.
What is the SMILES notation for magnesium;hexane;bromide?
The canonical SMILES for magnesium;hexane;bromide is CC[CH-]CCC.[Br-].[Mg+2].
What is the InChIKey of magnesium;hexane;bromide?
The InChIKey is CYPLKVAUUZBVIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13.BrH.Mg/c1-3-5-6-4-2;;/h5H,3-4,6H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;hexane;bromide?
magnesium;hexane;bromide has a molecular weight of 189.38 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hexane;bromide is sourced from PubChem (CID 24939902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).