dimagnesium;pentan-1-olate;dichloride

C5H10Cl2Mg2O — CID 166060237

IUPACdimagnesium;pentan-1-olate;dichloride
SMILES[CH2-]CCCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C5H10O.2ClH.2Mg/c1-2-3-4-5-6;;;;/h1-5H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyLACXXKLEKGONNJ-UHFFFAOYSA-L
MW205.65 g/mol
LogP-6.40
Rot. Bonds3

About dimagnesium;pentan-1-olate;dichloride

dimagnesium;pentan-1-olate;dichloride (PubChem CID 166060237) has the molecular formula C5H10Cl2Mg2O and a molecular weight of 205.65 g/mol. Its IUPAC name is dimagnesium;pentan-1-olate;dichloride.

Molecular Properties

Compound Namedimagnesium;pentan-1-olate;dichloride
PubChem CID166060237
Molecular FormulaC5H10Cl2Mg2O
Molecular Weight205.65 g/mol
Exact Mass203.98
IUPAC Namedimagnesium;pentan-1-olate;dichloride
SMILES[CH2-]CCCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C5H10O.2ClH.2Mg/c1-2-3-4-5-6;;;;/h1-5H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyLACXXKLEKGONNJ-UHFFFAOYSA-L
XLogP-6.40
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-6.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimagnesium;pentan-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

Frequently Asked Questions

What is the IUPAC name of dimagnesium;pentan-1-olate;dichloride?
The IUPAC name of dimagnesium;pentan-1-olate;dichloride (CID 166060237) is dimagnesium;pentan-1-olate;dichloride.
What is the SMILES notation for dimagnesium;pentan-1-olate;dichloride?
The canonical SMILES for dimagnesium;pentan-1-olate;dichloride is [CH2-]CCCC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;pentan-1-olate;dichloride?
The InChIKey is LACXXKLEKGONNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10O.2ClH.2Mg/c1-2-3-4-5-6;;;;/h1-5H2;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;pentan-1-olate;dichloride?
dimagnesium;pentan-1-olate;dichloride has a molecular weight of 205.65 g/mol, XLogP of -6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;pentan-1-olate;dichloride is sourced from PubChem (CID 166060237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).