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

C6H10O3S — CID 174353973

IUPACprop-2-enyl prop-1-ene-2-sulfonate
SMILESC=CCOS(=O)(=O)C(=C)C
InChIInChI=1S/C6H10O3S/c1-4-5-9-10(7,8)6(2)3/h4H,1-2,5H2,3H3
InChIKeyTYVNUTILJOELLH-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.05
Rot. Bonds4

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

prop-2-enyl prop-1-ene-2-sulfonate (PubChem CID 174353973) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is prop-2-enyl prop-1-ene-2-sulfonate.

Molecular Properties

Compound Nameprop-2-enyl prop-1-ene-2-sulfonate
PubChem CID174353973
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Nameprop-2-enyl prop-1-ene-2-sulfonate
SMILESC=CCOS(=O)(=O)C(=C)C
InChIInChI=1S/C6H10O3S/c1-4-5-9-10(7,8)6(2)3/h4H,1-2,5H2,3H3
InChIKeyTYVNUTILJOELLH-UHFFFAOYSA-N
XLogP1.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl prop-1-ene-2-sulfonate?
The IUPAC name of prop-2-enyl prop-1-ene-2-sulfonate (CID 174353973) is prop-2-enyl prop-1-ene-2-sulfonate.
What is the SMILES notation for prop-2-enyl prop-1-ene-2-sulfonate?
The canonical SMILES for prop-2-enyl prop-1-ene-2-sulfonate is C=CCOS(=O)(=O)C(=C)C.
What is the InChIKey of prop-2-enyl prop-1-ene-2-sulfonate?
The InChIKey is TYVNUTILJOELLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-4-5-9-10(7,8)6(2)3/h4H,1-2,5H2,3H3.
What are the key properties of prop-2-enyl prop-1-ene-2-sulfonate?
prop-2-enyl prop-1-ene-2-sulfonate has a molecular weight of 162.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl prop-1-ene-2-sulfonate is sourced from PubChem (CID 174353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).