magnesium butyl hypochlorite

C4H9ClMgO+2 — CID 22646189

IUPACmagnesium butyl hypochlorite
SMILESCCCCOCl.[Mg+2]
InChIInChI=1S/C4H9ClO.Mg/c1-2-3-4-6-5;/h2-4H2,1H3;/q;+2
InChIKeyXMZIQLLPUXAVTC-UHFFFAOYSA-N
MW132.87 g/mol
LogP1.58
Rot. Bonds3

About magnesium butyl hypochlorite

magnesium butyl hypochlorite (PubChem CID 22646189) has the molecular formula C4H9ClMgO+2 and a molecular weight of 132.87 g/mol. Its IUPAC name is magnesium butyl hypochlorite.

Molecular Properties

Compound Namemagnesium butyl hypochlorite
PubChem CID22646189
Molecular FormulaC4H9ClMgO+2
Molecular Weight132.87 g/mol
Exact Mass132.02
IUPAC Namemagnesium butyl hypochlorite
SMILESCCCCOCl.[Mg+2]
InChIInChI=1S/C4H9ClO.Mg/c1-2-3-4-6-5;/h2-4H2,1H3;/q;+2
InChIKeyXMZIQLLPUXAVTC-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.87
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium butyl hypochlorite?
The IUPAC name of magnesium butyl hypochlorite (CID 22646189) is magnesium butyl hypochlorite.
What is the SMILES notation for magnesium butyl hypochlorite?
The canonical SMILES for magnesium butyl hypochlorite is CCCCOCl.[Mg+2].
What is the InChIKey of magnesium butyl hypochlorite?
The InChIKey is XMZIQLLPUXAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO.Mg/c1-2-3-4-6-5;/h2-4H2,1H3;/q;+2.
What are the key properties of magnesium butyl hypochlorite?
magnesium butyl hypochlorite has a molecular weight of 132.87 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium butyl hypochlorite is sourced from PubChem (CID 22646189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).