magnesium;butyl hypochlorite;hydride

C4H11ClMgO — CID 173227915

IUPACmagnesium;butyl hypochlorite;hydride
SMILESCCCCOCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9ClO.Mg.2H/c1-2-3-4-6-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyDJBWBJXQIVUFOG-UHFFFAOYSA-N
MW134.89 g/mol
LogP1.80
Rot. Bonds3

About magnesium;butyl hypochlorite;hydride

magnesium;butyl hypochlorite;hydride (PubChem CID 173227915) has the molecular formula C4H11ClMgO and a molecular weight of 134.89 g/mol. Its IUPAC name is magnesium;butyl hypochlorite;hydride.

Molecular Properties

Compound Namemagnesium;butyl hypochlorite;hydride
PubChem CID173227915
Molecular FormulaC4H11ClMgO
Molecular Weight134.89 g/mol
Exact Mass134.03
IUPAC Namemagnesium;butyl hypochlorite;hydride
SMILESCCCCOCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9ClO.Mg.2H/c1-2-3-4-6-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyDJBWBJXQIVUFOG-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.89
LogP ≤ 51.80
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;hydride?
The IUPAC name of magnesium;butyl hypochlorite;hydride (CID 173227915) is magnesium;butyl hypochlorite;hydride.
What is the SMILES notation for magnesium;butyl hypochlorite;hydride?
The canonical SMILES for magnesium;butyl hypochlorite;hydride is CCCCOCl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butyl hypochlorite;hydride?
The InChIKey is DJBWBJXQIVUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO.Mg.2H/c1-2-3-4-6-5;;;/h2-4H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;butyl hypochlorite;hydride?
magnesium;butyl hypochlorite;hydride has a molecular weight of 134.89 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butyl hypochlorite;hydride is sourced from PubChem (CID 173227915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).