dimagnesium;3,4-dimethanidylhexane;dibromide

C8H16Br2Mg2 — CID 134978952

IUPACdimagnesium;3,4-dimethanidylhexane;dibromide
SMILES[Br-].[Br-].[CH2-]C(CC)C([CH2-])CC.[Mg+2].[Mg+2]
InChIInChI=1S/C8H16.2BrH.2Mg/c1-5-7(3)8(4)6-2;;;;/h7-8H,3-6H2,1-2H3;2*1H;;/q-2;;;2*+2/p-2
InChIKeyKZOCPJQLCOJBRV-UHFFFAOYSA-L
MW320.63 g/mol
LogP-4.05
Rot. Bonds3

About dimagnesium;3,4-dimethanidylhexane;dibromide

dimagnesium;3,4-dimethanidylhexane;dibromide (PubChem CID 134978952) has the molecular formula C8H16Br2Mg2 and a molecular weight of 320.63 g/mol. Its IUPAC name is dimagnesium;3,4-dimethanidylhexane;dibromide.

Molecular Properties

Compound Namedimagnesium;3,4-dimethanidylhexane;dibromide
PubChem CID134978952
Molecular FormulaC8H16Br2Mg2
Molecular Weight320.63 g/mol
Exact Mass317.93
IUPAC Namedimagnesium;3,4-dimethanidylhexane;dibromide
SMILES[Br-].[Br-].[CH2-]C(CC)C([CH2-])CC.[Mg+2].[Mg+2]
InChIInChI=1S/C8H16.2BrH.2Mg/c1-5-7(3)8(4)6-2;;;;/h7-8H,3-6H2,1-2H3;2*1H;;/q-2;;;2*+2/p-2
InChIKeyKZOCPJQLCOJBRV-UHFFFAOYSA-L
XLogP-4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 5-4.05
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 dimagnesium;3,4-dimethanidylhexane;dibromide?
The IUPAC name of dimagnesium;3,4-dimethanidylhexane;dibromide (CID 134978952) is dimagnesium;3,4-dimethanidylhexane;dibromide.
What is the SMILES notation for dimagnesium;3,4-dimethanidylhexane;dibromide?
The canonical SMILES for dimagnesium;3,4-dimethanidylhexane;dibromide is [Br-].[Br-].[CH2-]C(CC)C([CH2-])CC.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;3,4-dimethanidylhexane;dibromide?
The InChIKey is KZOCPJQLCOJBRV-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16.2BrH.2Mg/c1-5-7(3)8(4)6-2;;;;/h7-8H,3-6H2,1-2H3;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;3,4-dimethanidylhexane;dibromide?
dimagnesium;3,4-dimethanidylhexane;dibromide has a molecular weight of 320.63 g/mol, XLogP of -4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;3,4-dimethanidylhexane;dibromide is sourced from PubChem (CID 134978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).