dimagnesium;butane;butane;ethane

C14H32Mg2 — CID 20548166

IUPACdimagnesium;butane;butane;ethane
SMILESC[CH-]CC.[CH2-]C.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2]
InChIInChI=1S/3C4H9.C2H5.2Mg/c3*1-3-4-2;1-2;;/h3H,4H2,1-2H3;2*1,3-4H2,2H3;1H2,2H3;;/q4*-1;2*+2
InChIKeyKGIFXAIRAUDTHS-UHFFFAOYSA-N
MW249.02 g/mol
LogP4.94
Rot. Bonds3

About dimagnesium;butane;butane;ethane

dimagnesium;butane;butane;ethane (PubChem CID 20548166) has the molecular formula C14H32Mg2 and a molecular weight of 249.02 g/mol. Its IUPAC name is dimagnesium;butane;butane;ethane.

Molecular Properties

Compound Namedimagnesium;butane;butane;ethane
PubChem CID20548166
Molecular FormulaC14H32Mg2
Molecular Weight249.02 g/mol
Exact Mass248.22
IUPAC Namedimagnesium;butane;butane;ethane
SMILESC[CH-]CC.[CH2-]C.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2]
InChIInChI=1S/3C4H9.C2H5.2Mg/c3*1-3-4-2;1-2;;/h3H,4H2,1-2H3;2*1,3-4H2,2H3;1H2,2H3;;/q4*-1;2*+2
InChIKeyKGIFXAIRAUDTHS-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.02
LogP ≤ 54.94
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;butane;butane;ethane?
The IUPAC name of dimagnesium;butane;butane;ethane (CID 20548166) is dimagnesium;butane;butane;ethane.
What is the SMILES notation for dimagnesium;butane;butane;ethane?
The canonical SMILES for dimagnesium;butane;butane;ethane is C[CH-]CC.[CH2-]C.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butane;butane;ethane?
The InChIKey is KGIFXAIRAUDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H5.2Mg/c3*1-3-4-2;1-2;;/h3H,4H2,1-2H3;2*1,3-4H2,2H3;1H2,2H3;;/q4*-1;2*+2.
What are the key properties of dimagnesium;butane;butane;ethane?
dimagnesium;butane;butane;ethane has a molecular weight of 249.02 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butane;butane;ethane is sourced from PubChem (CID 20548166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).