lithium;magnesium;butan-1-olate;chloride

C4H8ClLiMgO — CID 166060233

IUPAClithium;magnesium;butan-1-olate;chloride
SMILES[CH2-]CCC[O-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C4H8O.ClH.Li.Mg/c1-2-3-4-5;;;/h1-4H2;1H;;/q-2;;+1;+2/p-1
InChIKeyZKZRRTGZZKYDBS-UHFFFAOYSA-M
MW138.81 g/mol
LogP-6.41
Rot. Bonds2

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

lithium;magnesium;butan-1-olate;chloride (PubChem CID 166060233) has the molecular formula C4H8ClLiMgO and a molecular weight of 138.81 g/mol. Its IUPAC name is lithium;magnesium;butan-1-olate;chloride.

Molecular Properties

Compound Namelithium;magnesium;butan-1-olate;chloride
PubChem CID166060233
Molecular FormulaC4H8ClLiMgO
Molecular Weight138.81 g/mol
Exact Mass138.03
IUPAC Namelithium;magnesium;butan-1-olate;chloride
SMILES[CH2-]CCC[O-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C4H8O.ClH.Li.Mg/c1-2-3-4-5;;;/h1-4H2;1H;;/q-2;;+1;+2/p-1
InChIKeyZKZRRTGZZKYDBS-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 ≤ 500138.81
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'}

Analyze lithium;magnesium;butan-1-olate;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimagnesium;butan-1-olate;bromide;chloride
CID 134887306
Dimagnesium;butan-1-olate;dichloride
CID 135042414
Magnesium;butan-1-olate;chloride
CID 104483
Butoxychloromagnesium
CID 6101689
CID 88053694
CID 88053694
Lithium;magnesium;butan-1-olate;chloride
CID 166060206
Lithium;magnesium;butan-1-olate;bromide
CID 166060212
Lithium;magnesium;butan-1-olate;bromide
CID 166060214
Lithium;magnesium;pentan-1-olate;chloride
CID 166060238
Lithium;magnesium;pentan-1-olate;chloride
CID 166060249
Magnesium;butyl hypochlorite;hydride
CID 173227915
CID 176170542
CID 176170542

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;butan-1-olate;chloride?
The IUPAC name of lithium;magnesium;butan-1-olate;chloride (CID 166060233) is lithium;magnesium;butan-1-olate;chloride.
What is the SMILES notation for lithium;magnesium;butan-1-olate;chloride?
The canonical SMILES for lithium;magnesium;butan-1-olate;chloride is [CH2-]CCC[O-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;butan-1-olate;chloride?
The InChIKey is ZKZRRTGZZKYDBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.ClH.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;chloride?
lithium;magnesium;butan-1-olate;chloride has a molecular weight of 138.81 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;chloride is sourced from PubChem (CID 166060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).