lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid

C5H9LiO5S — CID 173036299

IUPAClithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
SMILESC=CC(=O)OCCS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C5H8O5S.Li.H/c1-2-5(6)10-3-4-11(7,8)9;;/h2H,1,3-4H2,(H,7,8,9);;/q;+1;-1
InChIKeyJIVRLSXYDSABTG-UHFFFAOYSA-N
MW188.13 g/mol
LogP-3.28
Rot. Bonds4

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

lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid (PubChem CID 173036299) has the molecular formula C5H9LiO5S and a molecular weight of 188.13 g/mol. Its IUPAC name is lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid.

Molecular Properties

Compound Namelithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
PubChem CID173036299
Molecular FormulaC5H9LiO5S
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Namelithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
SMILESC=CC(=O)OCCS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C5H8O5S.Li.H/c1-2-5(6)10-3-4-11(7,8)9;;/h2H,1,3-4H2,(H,7,8,9);;/q;+1;-1
InChIKeyJIVRLSXYDSABTG-UHFFFAOYSA-N
XLogP-3.28
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-3.28
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

magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
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
2-(2-oxobut-3-enoyloxy)ethanesulfonic acid
CID 22370936
2-prop-2-enoylperoxyethanesulfonic acid
CID 22666724
calcium bis(2-prop-2-enoyloxyethanesulfonate)
CID 142701395
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 lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The IUPAC name of lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid (CID 173036299) is lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid.
What is the SMILES notation for lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The canonical SMILES for lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid is C=CC(=O)OCCS(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
The InChIKey is JIVRLSXYDSABTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S.Li.H/c1-2-5(6)10-3-4-11(7,8)9;;/h2H,1,3-4H2,(H,7,8,9);;/q;+1;-1.
What are the key properties of lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid?
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid has a molecular weight of 188.13 g/mol, XLogP of -3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid is sourced from PubChem (CID 173036299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).