magnesium;butanal;hydride

C4H10MgO — CID 173011823

IUPACmagnesium;butanal;hydride
SMILESCCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O.Mg.2H/c1-2-3-4-5;;;/h4H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyKURSQINFEPQBCZ-UHFFFAOYSA-N
MW98.43 g/mol
LogP0.83
Rot. Bonds2

About magnesium;butanal;hydride

magnesium;butanal;hydride (PubChem CID 173011823) has the molecular formula C4H10MgO and a molecular weight of 98.43 g/mol. Its IUPAC name is magnesium;butanal;hydride.

Molecular Properties

Compound Namemagnesium;butanal;hydride
PubChem CID173011823
Molecular FormulaC4H10MgO
Molecular Weight98.43 g/mol
Exact Mass98.06
IUPAC Namemagnesium;butanal;hydride
SMILESCCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O.Mg.2H/c1-2-3-4-5;;;/h4H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyKURSQINFEPQBCZ-UHFFFAOYSA-N
XLogP0.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.43
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;butanal;hydride?
The IUPAC name of magnesium;butanal;hydride (CID 173011823) is magnesium;butanal;hydride.
What is the SMILES notation for magnesium;butanal;hydride?
The canonical SMILES for magnesium;butanal;hydride is CCCC=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butanal;hydride?
The InChIKey is KURSQINFEPQBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Mg.2H/c1-2-3-4-5;;;/h4H,2-3H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;butanal;hydride?
magnesium;butanal;hydride has a molecular weight of 98.43 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butanal;hydride is sourced from PubChem (CID 173011823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).