lithium;magnesium;butane

C12H27LiMg — CID 24940261

IUPAClithium;magnesium;butane
SMILES[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Li+].[Mg+2]
InChIInChI=1S/3C4H9.Li.Mg/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;/q3*-1;+1;+2
InChIKeyBRZNWMVATGSOEK-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.48
Rot. Bonds3

About lithium;magnesium;butane

lithium;magnesium;butane (PubChem CID 24940261) has the molecular formula C12H27LiMg and a molecular weight of 202.59 g/mol. Its IUPAC name is lithium;magnesium;butane.

Molecular Properties

Compound Namelithium;magnesium;butane
PubChem CID24940261
Molecular FormulaC12H27LiMg
Molecular Weight202.59 g/mol
Exact Mass202.21
IUPAC Namelithium;magnesium;butane
SMILES[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Li+].[Mg+2]
InChIInChI=1S/3C4H9.Li.Mg/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;/q3*-1;+1;+2
InChIKeyBRZNWMVATGSOEK-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.48
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 lithium;magnesium;butane?
The IUPAC name of lithium;magnesium;butane (CID 24940261) is lithium;magnesium;butane.
What is the SMILES notation for lithium;magnesium;butane?
The canonical SMILES for lithium;magnesium;butane is [CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;butane?
The InChIKey is BRZNWMVATGSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Li.Mg/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;/q3*-1;+1;+2.
What are the key properties of lithium;magnesium;butane?
lithium;magnesium;butane has a molecular weight of 202.59 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;butane is sourced from PubChem (CID 24940261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).