magnesium;butane;chloride

C4H9ClMg — CID 6101660

IUPACmagnesium;butane;chloride
SMILES[CH2-]CCC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyQUXHCILOWRXCEO-UHFFFAOYSA-M
MW116.87 g/mol
LogP-1.76
Rot. Bonds1

About magnesium;butane;chloride

magnesium;butane;chloride (PubChem CID 6101660) has the molecular formula C4H9ClMg and a molecular weight of 116.87 g/mol. Its IUPAC name is magnesium;butane;chloride.

Molecular Properties

Compound Namemagnesium;butane;chloride
PubChem CID6101660
Molecular FormulaC4H9ClMg
Molecular Weight116.87 g/mol
Exact Mass116.02
IUPAC Namemagnesium;butane;chloride
SMILES[CH2-]CCC.[Cl-].[Mg+2]
InChIInChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyQUXHCILOWRXCEO-UHFFFAOYSA-M
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.87
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 magnesium;butane;chloride?
The IUPAC name of magnesium;butane;chloride (CID 6101660) is magnesium;butane;chloride.
What is the SMILES notation for magnesium;butane;chloride?
The canonical SMILES for magnesium;butane;chloride is [CH2-]CCC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;butane;chloride?
The InChIKey is QUXHCILOWRXCEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butane;chloride?
magnesium;butane;chloride has a molecular weight of 116.87 g/mol, XLogP of -1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;chloride is sourced from PubChem (CID 6101660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).