dimagnesium;pentan-1-olate;bromide;chloride

C5H10BrClMg2O — CID 166060226

IUPACdimagnesium;pentan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]CCCC[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C5H10O.BrH.ClH.2Mg/c1-2-3-4-5-6;;;;/h1-5H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyQGFCAXCLCBAQCF-UHFFFAOYSA-L
MW250.10 g/mol
LogP-6.40
Rot. Bonds3

About dimagnesium;pentan-1-olate;bromide;chloride

dimagnesium;pentan-1-olate;bromide;chloride (PubChem CID 166060226) has the molecular formula C5H10BrClMg2O and a molecular weight of 250.10 g/mol. Its IUPAC name is dimagnesium;pentan-1-olate;bromide;chloride.

Molecular Properties

Compound Namedimagnesium;pentan-1-olate;bromide;chloride
PubChem CID166060226
Molecular FormulaC5H10BrClMg2O
Molecular Weight250.10 g/mol
Exact Mass247.93
IUPAC Namedimagnesium;pentan-1-olate;bromide;chloride
SMILES[Br-].[CH2-]CCCC[O-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C5H10O.BrH.ClH.2Mg/c1-2-3-4-5-6;;;;/h1-5H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyQGFCAXCLCBAQCF-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 ≤ 500250.10
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'}

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;pentan-1-olate;bromide;chloride?
The IUPAC name of dimagnesium;pentan-1-olate;bromide;chloride (CID 166060226) is dimagnesium;pentan-1-olate;bromide;chloride.
What is the SMILES notation for dimagnesium;pentan-1-olate;bromide;chloride?
The canonical SMILES for dimagnesium;pentan-1-olate;bromide;chloride is [Br-].[CH2-]CCCC[O-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;pentan-1-olate;bromide;chloride?
The InChIKey is QGFCAXCLCBAQCF-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10O.BrH.ClH.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;bromide;chloride?
dimagnesium;pentan-1-olate;bromide;chloride has a molecular weight of 250.10 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;bromide;chloride is sourced from PubChem (CID 166060226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).