lithium;magnesium;butan-1-olate;bromide

C4H8BrLiMgO — CID 166060212

IUPAClithium;magnesium;butan-1-olate;bromide
SMILES[Br-].[CH2-]CCC[O-].[Li+].[Mg+2]
InChIInChI=1S/C4H8O.BrH.Li.Mg/c1-2-3-4-5;;;/h1-4H2;1H;;/q-2;;+1;+2/p-1
InChIKeyFCMZJUOZSJNUMJ-UHFFFAOYSA-M
MW183.26 g/mol
LogP-6.41
Rot. Bonds2

About lithium;magnesium;butan-1-olate;bromide

lithium;magnesium;butan-1-olate;bromide (PubChem CID 166060212) has the molecular formula C4H8BrLiMgO and a molecular weight of 183.26 g/mol. Its IUPAC name is lithium;magnesium;butan-1-olate;bromide.

Molecular Properties

Compound Namelithium;magnesium;butan-1-olate;bromide
PubChem CID166060212
Molecular FormulaC4H8BrLiMgO
Molecular Weight183.26 g/mol
Exact Mass181.98
IUPAC Namelithium;magnesium;butan-1-olate;bromide
SMILES[Br-].[CH2-]CCC[O-].[Li+].[Mg+2]
InChIInChI=1S/C4H8O.BrH.Li.Mg/c1-2-3-4-5;;;/h1-4H2;1H;;/q-2;;+1;+2/p-1
InChIKeyFCMZJUOZSJNUMJ-UHFFFAOYSA-M
XLogP-6.41
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-6.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;butan-1-olate;bromide?
The IUPAC name of lithium;magnesium;butan-1-olate;bromide (CID 166060212) is lithium;magnesium;butan-1-olate;bromide.
What is the SMILES notation for lithium;magnesium;butan-1-olate;bromide?
The canonical SMILES for lithium;magnesium;butan-1-olate;bromide is [Br-].[CH2-]CCC[O-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;butan-1-olate;bromide?
The InChIKey is FCMZJUOZSJNUMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.BrH.Li.Mg/c1-2-3-4-5;;;/h1-4H2;1H;;/q-2;;+1;+2/p-1.
What are the key properties of lithium;magnesium;butan-1-olate;bromide?
lithium;magnesium;butan-1-olate;bromide has a molecular weight of 183.26 g/mol, XLogP of -6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;butan-1-olate;bromide is sourced from PubChem (CID 166060212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).