dimagnesium;butan-1-olate;dichloride

C4H8Cl2Mg2O — CID 135042414

IUPACdimagnesium;butan-1-olate;dichloride
SMILES[CH2-]CCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.2ClH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyOOORFUURVAZFES-UHFFFAOYSA-L
MW191.62 g/mol
LogP-6.79
Rot. Bonds2

About dimagnesium;butan-1-olate;dichloride

dimagnesium;butan-1-olate;dichloride (PubChem CID 135042414) has the molecular formula C4H8Cl2Mg2O and a molecular weight of 191.62 g/mol. Its IUPAC name is dimagnesium;butan-1-olate;dichloride.

Molecular Properties

Compound Namedimagnesium;butan-1-olate;dichloride
PubChem CID135042414
Molecular FormulaC4H8Cl2Mg2O
Molecular Weight191.62 g/mol
Exact Mass189.97
IUPAC Namedimagnesium;butan-1-olate;dichloride
SMILES[CH2-]CCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O.2ClH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyOOORFUURVAZFES-UHFFFAOYSA-L
XLogP-6.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-6.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze dimagnesium;butan-1-olate;dichloride 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
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;chloride
CID 166060233
Dimagnesium;pentan-1-olate;dichloride
CID 166060237
Magnesium;butyl hypochlorite;hydride
CID 173227915
Magnesium;1-methoxybutane;dichloride
CID 174503784
CID 176170542
CID 176170542
Magnesium butyl hypochlorite
CID 22646189

Frequently Asked Questions

What is the IUPAC name of dimagnesium;butan-1-olate;dichloride?
The IUPAC name of dimagnesium;butan-1-olate;dichloride (CID 135042414) is dimagnesium;butan-1-olate;dichloride.
What is the SMILES notation for dimagnesium;butan-1-olate;dichloride?
The canonical SMILES for dimagnesium;butan-1-olate;dichloride is [CH2-]CCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butan-1-olate;dichloride?
The InChIKey is OOORFUURVAZFES-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.2ClH.2Mg/c1-2-3-4-5;;;;/h1-4H2;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;butan-1-olate;dichloride?
dimagnesium;butan-1-olate;dichloride has a molecular weight of 191.62 g/mol, XLogP of -6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butan-1-olate;dichloride is sourced from PubChem (CID 135042414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).