prop-2-enylsulfonyl ethaneperoxoate

C5H8O5S — CID 87174214

IUPACprop-2-enylsulfonyl ethaneperoxoate
SMILESC=CCS(=O)(=O)OOC(C)=O
InChIInChI=1S/C5H8O5S/c1-3-4-11(7,8)10-9-5(2)6/h3H,1,4H2,2H3
InChIKeySNYYRXISSOMNQT-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.00
Rot. Bonds4

About prop-2-enylsulfonyl ethaneperoxoate

prop-2-enylsulfonyl ethaneperoxoate (PubChem CID 87174214) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is prop-2-enylsulfonyl ethaneperoxoate.

Molecular Properties

Compound Nameprop-2-enylsulfonyl ethaneperoxoate
PubChem CID87174214
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Nameprop-2-enylsulfonyl ethaneperoxoate
SMILESC=CCS(=O)(=O)OOC(C)=O
InChIInChI=1S/C5H8O5S/c1-3-4-11(7,8)10-9-5(2)6/h3H,1,4H2,2H3
InChIKeySNYYRXISSOMNQT-UHFFFAOYSA-N
XLogP-0.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfonyl ethaneperoxoate?
The IUPAC name of prop-2-enylsulfonyl ethaneperoxoate (CID 87174214) is prop-2-enylsulfonyl ethaneperoxoate.
What is the SMILES notation for prop-2-enylsulfonyl ethaneperoxoate?
The canonical SMILES for prop-2-enylsulfonyl ethaneperoxoate is C=CCS(=O)(=O)OOC(C)=O.
What is the InChIKey of prop-2-enylsulfonyl ethaneperoxoate?
The InChIKey is SNYYRXISSOMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S/c1-3-4-11(7,8)10-9-5(2)6/h3H,1,4H2,2H3.
What are the key properties of prop-2-enylsulfonyl ethaneperoxoate?
prop-2-enylsulfonyl ethaneperoxoate has a molecular weight of 180.18 g/mol, XLogP of -0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfonyl ethaneperoxoate is sourced from PubChem (CID 87174214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).