prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate

C6H10O4S — CID 122601865

IUPACprop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate
SMILESC=CCOS(=O)(=O)C(O)C=C
InChIInChI=1S/C6H10O4S/c1-3-5-10-11(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2
InChIKeyOTHLVSUCBDZJCV-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.02
Rot. Bonds5

About prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate

prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate (PubChem CID 122601865) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate.

Molecular Properties

Compound Nameprop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate
PubChem CID122601865
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Nameprop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate
SMILESC=CCOS(=O)(=O)C(O)C=C
InChIInChI=1S/C6H10O4S/c1-3-5-10-11(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2
InChIKeyOTHLVSUCBDZJCV-UHFFFAOYSA-N
XLogP0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87404163
CID 87404163
3-silylsulfonyloxyprop-1-ene
CID 173032447
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
lithium prop-2-enyl sulfate
CID 87403119
prop-2-enyl trifluoromethanesulfonate;silane
CID 174615184
nitroso prop-2-enyl sulfate
CID 151816255
aluminum tris(prop-2-enyl sulfate)
CID 173336945
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
2-hydroxy-3-prop-2-enoxypropane-1-sulfonate
CID 19842676
hexa-1,5-diene-3-sulfonic acid;prop-2-enyl prop-2-ene-1-sulfonate
CID 175807844
prop-2-enyl hydrogen sulfate;tetradecane
CID 87113909
[(2S,3R)-2,3-dihydroxypent-4-enyl] methanesulfonate
CID 14283013

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate?
The IUPAC name of prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate (CID 122601865) is prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate.
What is the SMILES notation for prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate?
The canonical SMILES for prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate is C=CCOS(=O)(=O)C(O)C=C.
What is the InChIKey of prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate?
The InChIKey is OTHLVSUCBDZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-3-5-10-11(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2.
What are the key properties of prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate?
prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate has a molecular weight of 178.21 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-hydroxyprop-2-ene-1-sulfonate is sourced from PubChem (CID 122601865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).