prop-2-enyl 2-hydroxyethanesulfonate

C5H10O4S — CID 18386425

IUPACprop-2-enyl 2-hydroxyethanesulfonate
SMILESC=CCOS(=O)(=O)CCO
InChIInChI=1S/C5H10O4S/c1-2-4-9-10(7,8)5-3-6/h2,6H,1,3-5H2
InChIKeyFSWJHLIYJTXMLN-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.49
Rot. Bonds5

About prop-2-enyl 2-hydroxyethanesulfonate

prop-2-enyl 2-hydroxyethanesulfonate (PubChem CID 18386425) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxyethanesulfonate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxyethanesulfonate
PubChem CID18386425
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Nameprop-2-enyl 2-hydroxyethanesulfonate
SMILESC=CCOS(=O)(=O)CCO
InChIInChI=1S/C5H10O4S/c1-2-4-9-10(7,8)5-3-6/h2,6H,1,3-5H2
InChIKeyFSWJHLIYJTXMLN-UHFFFAOYSA-N
XLogP-0.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.49
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'}

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Related Compounds

(E)-3-methylsulfonylprop-2-en-1-ol
CID 11400800
3-(Methanesulfonyl)prop-2-en-1-ol
CID 71375894
Ethenesulfonic acid, 2-propenyl ester
CID 12134113
Prop-2-enyl prop-2-ene-1-sulfinate
CID 57291063
Allyloxy hydroxypropyl sulfonate
CID 87131397
1-Prop-2-enylsulfonylprop-2-en-1-ol
CID 123315602
2-Propene-1-sulfonic acid, 2-propenyl ester
CID 12134110
2-Hydroxybut-3-ene-1-sulfonic acid
CID 21750515
(E)-3-butylsulfonylprop-2-en-1-ol
CID 13285010
3-Butene-2-sulfonic acid, 1-hydroxy-
CID 12080902
(E)-3-ethylsulfonylprop-2-en-1-ol
CID 12640997
Prop-2-enoxy 2-hydroxypropane-1-sulfonate
CID 18329139

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxyethanesulfonate?
The IUPAC name of prop-2-enyl 2-hydroxyethanesulfonate (CID 18386425) is prop-2-enyl 2-hydroxyethanesulfonate.
What is the SMILES notation for prop-2-enyl 2-hydroxyethanesulfonate?
The canonical SMILES for prop-2-enyl 2-hydroxyethanesulfonate is C=CCOS(=O)(=O)CCO.
What is the InChIKey of prop-2-enyl 2-hydroxyethanesulfonate?
The InChIKey is FSWJHLIYJTXMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-2-4-9-10(7,8)5-3-6/h2,6H,1,3-5H2.
What are the key properties of prop-2-enyl 2-hydroxyethanesulfonate?
prop-2-enyl 2-hydroxyethanesulfonate has a molecular weight of 166.20 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxyethanesulfonate is sourced from PubChem (CID 18386425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).