magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride

C11H20MgO7S — CID 174803370

IUPACmagnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride
SMILESCC=CC(=O)OCC(CC)C(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H18O7S.Mg.2H/c1-3-5-10(12)18-8-9(4-2)11(13)17-6-7-19(14,15)16;;;/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16);;;/q;+2;2*-1
InChIKeyMPDQVTAZTPPLEM-UHFFFAOYSA-N
MW320.65 g/mol
LogP0.41
Rot. Bonds8

About magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride

magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride (PubChem CID 174803370) has the molecular formula C11H20MgO7S and a molecular weight of 320.65 g/mol. Its IUPAC name is magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride
PubChem CID174803370
Molecular FormulaC11H20MgO7S
Molecular Weight320.65 g/mol
Exact Mass320.08
IUPAC Namemagnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride
SMILESCC=CC(=O)OCC(CC)C(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H18O7S.Mg.2H/c1-3-5-10(12)18-8-9(4-2)11(13)17-6-7-19(14,15)16;;;/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16);;;/q;+2;2*-1
InChIKeyMPDQVTAZTPPLEM-UHFFFAOYSA-N
XLogP0.41
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;3-but-2-enoyloxy-2-(but-2-enoyloxymethyl)propanoic acid;propane-1-sulfonic acid
CID 174919457
sodium;3-but-2-enoyloxypropane-1-sulfonic acid;hydride
CID 173057738
sodium;2-(but-2-enoyloxymethyl)pentanoic acid;propane-1-sulfonic acid
CID 174802827
potassium;3-but-2-enoyloxy-2-methylpropanoic acid;propane-1-sulfonic acid
CID 174802981
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
but-2-enoyloxymethyl-diethyl-(4-sulfobutan-2-yl)azanium
CID 175314619
CID 173229344
CID 173229344
sodium;hydride;2-(2-sulfanylpropanoyloxy)ethanesulfonic acid
CID 173051395
3-aminopropane-1-sulfonic acid;3-but-2-enoyloxypropanoic acid
CID 174802719
CID 172829845
CID 172829845
3-but-2-enoyloxypropyl-ethenyl-methyl-(3-sulfopropyl)azanium chloride
CID 176909660

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride?
The IUPAC name of magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride (CID 174803370) is magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride.
What is the SMILES notation for magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride?
The canonical SMILES for magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride is CC=CC(=O)OCC(CC)C(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride?
The InChIKey is MPDQVTAZTPPLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7S.Mg.2H/c1-3-5-10(12)18-8-9(4-2)11(13)17-6-7-19(14,15)16;;;/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16);;;/q;+2;2*-1.
What are the key properties of magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride?
magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride has a molecular weight of 320.65 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[2-(but-2-enoyloxymethyl)butanoyloxy]ethanesulfonic acid;hydride is sourced from PubChem (CID 174803370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).