potassium 3-prop-2-enoyloxypropane-1-sulfonic acid

C6H10KO5S+ — CID 22045911

IUPACpotassium 3-prop-2-enoyloxypropane-1-sulfonic acid
SMILESC=CC(=O)OCCCS(=O)(=O)O.[K+]
InChIInChI=1S/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1
InChIKeyVSFOXJWBPGONDR-UHFFFAOYSA-N
MW233.31 g/mol
LogP-3.00
Rot. Bonds5

About potassium 3-prop-2-enoyloxypropane-1-sulfonic acid

potassium 3-prop-2-enoyloxypropane-1-sulfonic acid (PubChem CID 22045911) has the molecular formula C6H10KO5S+ and a molecular weight of 233.31 g/mol. Its IUPAC name is potassium 3-prop-2-enoyloxypropane-1-sulfonic acid.

Molecular Properties

Compound Namepotassium 3-prop-2-enoyloxypropane-1-sulfonic acid
PubChem CID22045911
Molecular FormulaC6H10KO5S+
Molecular Weight233.31 g/mol
Exact Mass232.99
IUPAC Namepotassium 3-prop-2-enoyloxypropane-1-sulfonic acid
SMILESC=CC(=O)OCCCS(=O)(=O)O.[K+]
InChIInChI=1S/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1
InChIKeyVSFOXJWBPGONDR-UHFFFAOYSA-N
XLogP-3.00
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
potassium 3-prop-2-enoyloxypropane-1-sulfonate
CID 23663682
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
3-[(Z)-4-oxo-4-(3-sulfopropoxy)but-2-enoyl]oxypropane-1-sulfonic acid
CID 87428104
3-hydroxypropyl prop-2-enoate;propane-1-sulfonic acid
CID 159679579
dimethyl-(3-prop-2-enoyloxypropyl)-(7-sulfoheptyl)azanium
CID 118143331
3-(trimethyl-λ4-sulfanyl)propyl prop-2-enoate
CID 150380231
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of potassium 3-prop-2-enoyloxypropane-1-sulfonic acid?
The IUPAC name of potassium 3-prop-2-enoyloxypropane-1-sulfonic acid (CID 22045911) is potassium 3-prop-2-enoyloxypropane-1-sulfonic acid.
What is the SMILES notation for potassium 3-prop-2-enoyloxypropane-1-sulfonic acid?
The canonical SMILES for potassium 3-prop-2-enoyloxypropane-1-sulfonic acid is C=CC(=O)OCCCS(=O)(=O)O.[K+].
What is the InChIKey of potassium 3-prop-2-enoyloxypropane-1-sulfonic acid?
The InChIKey is VSFOXJWBPGONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1.
What are the key properties of potassium 3-prop-2-enoyloxypropane-1-sulfonic acid?
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid has a molecular weight of 233.31 g/mol, XLogP of -3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-prop-2-enoyloxypropane-1-sulfonic acid is sourced from PubChem (CID 22045911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).