magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid

C5H10MgO5S — CID 173327637

IUPACmagnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
SMILESC=CC(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H8O5S.Mg.2H/c1-2-5(6)10-3-4-11(7,8)9;;;/h2H,1,3-4H2,(H,7,8,9);;;/q;+2;2*-1
InChIKeyRSNJQLJBPQFQSF-UHFFFAOYSA-N
MW206.50 g/mol
LogP-0.55
Rot. Bonds4

About magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid

magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid (PubChem CID 173327637) has the molecular formula C5H10MgO5S and a molecular weight of 206.50 g/mol. Its IUPAC name is magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
PubChem CID173327637
Molecular FormulaC5H10MgO5S
Molecular Weight206.50 g/mol
Exact Mass206.01
IUPAC Namemagnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
SMILESC=CC(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H8O5S.Mg.2H/c1-2-5(6)10-3-4-11(7,8)9;;;/h2H,1,3-4H2,(H,7,8,9);;;/q;+2;2*-1
InChIKeyRSNJQLJBPQFQSF-UHFFFAOYSA-N
XLogP-0.55
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.50
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091
sodium 2-prop-2-enoyloxyethanesulfonate
CID 23682460
calcium bis(2-prop-2-enoyloxyethanesulfonate)
CID 142701395
2-prop-2-enoylperoxyethanesulfonic acid
CID 22666724
2-(2-oxobut-3-enoyloxy)ethanesulfonic acid
CID 22370936
2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
CID 87905906
sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
3-hydroxypropyl prop-2-enoate;propane-1-sulfonic acid
CID 159679579
methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;prop-2-enoic acid
CID 163742520

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The IUPAC name of magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid (CID 173327637) is magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid.
What is the SMILES notation for magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The canonical SMILES for magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid is C=CC(=O)OCCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The InChIKey is RSNJQLJBPQFQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S.Mg.2H/c1-2-5(6)10-3-4-11(7,8)9;;;/h2H,1,3-4H2,(H,7,8,9);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid has a molecular weight of 206.50 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid is sourced from PubChem (CID 173327637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).