magnesium;1-chlorobutane;chloride

C4H8Cl2Mg — CID 14059072

IUPACmagnesium;1-chlorobutane;chloride
SMILES[CH2-]CCCCl.[Cl-].[Mg+2]
InChIInChI=1S/C4H8Cl.ClH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyOZBSMWHOIUSZBC-UHFFFAOYSA-M
MW151.32 g/mol
LogP-1.54
Rot. Bonds2

About magnesium;1-chlorobutane;chloride

magnesium;1-chlorobutane;chloride (PubChem CID 14059072) has the molecular formula C4H8Cl2Mg and a molecular weight of 151.32 g/mol. Its IUPAC name is magnesium;1-chlorobutane;chloride.

Molecular Properties

Compound Namemagnesium;1-chlorobutane;chloride
PubChem CID14059072
Molecular FormulaC4H8Cl2Mg
Molecular Weight151.32 g/mol
Exact Mass149.99
IUPAC Namemagnesium;1-chlorobutane;chloride
SMILES[CH2-]CCCCl.[Cl-].[Mg+2]
InChIInChI=1S/C4H8Cl.ClH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyOZBSMWHOIUSZBC-UHFFFAOYSA-M
XLogP-1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-chlorobutane;chloride?
The IUPAC name of magnesium;1-chlorobutane;chloride (CID 14059072) is magnesium;1-chlorobutane;chloride.
What is the SMILES notation for magnesium;1-chlorobutane;chloride?
The canonical SMILES for magnesium;1-chlorobutane;chloride is [CH2-]CCCCl.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-chlorobutane;chloride?
The InChIKey is OZBSMWHOIUSZBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8Cl.ClH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chlorobutane;chloride?
magnesium;1-chlorobutane;chloride has a molecular weight of 151.32 g/mol, XLogP of -1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chlorobutane;chloride is sourced from PubChem (CID 14059072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).