2-ethenyl-2-ethylsulfonyloxirane

C6H10O3S — CID 102568352

IUPAC2-ethenyl-2-ethylsulfonyloxirane
SMILESC=CC1(S(=O)(=O)CC)CO1
InChIInChI=1S/C6H10O3S/c1-3-6(5-9-6)10(7,8)4-2/h3H,1,4-5H2,2H3
InChIKeyKFARWOCIWAMBPI-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.33
Rot. Bonds3

About 2-ethenyl-2-ethylsulfonyloxirane

2-ethenyl-2-ethylsulfonyloxirane (PubChem CID 102568352) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-ethenyl-2-ethylsulfonyloxirane.

Molecular Properties

Compound Name2-ethenyl-2-ethylsulfonyloxirane
PubChem CID102568352
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-ethenyl-2-ethylsulfonyloxirane
SMILESC=CC1(S(=O)(=O)CC)CO1
InChIInChI=1S/C6H10O3S/c1-3-6(5-9-6)10(7,8)4-2/h3H,1,4-5H2,2H3
InChIKeyKFARWOCIWAMBPI-UHFFFAOYSA-N
XLogP0.33
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethylsulfonyloxirane?
The IUPAC name of 2-ethenyl-2-ethylsulfonyloxirane (CID 102568352) is 2-ethenyl-2-ethylsulfonyloxirane.
What is the SMILES notation for 2-ethenyl-2-ethylsulfonyloxirane?
The canonical SMILES for 2-ethenyl-2-ethylsulfonyloxirane is C=CC1(S(=O)(=O)CC)CO1.
What is the InChIKey of 2-ethenyl-2-ethylsulfonyloxirane?
The InChIKey is KFARWOCIWAMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-6(5-9-6)10(7,8)4-2/h3H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-2-ethylsulfonyloxirane?
2-ethenyl-2-ethylsulfonyloxirane has a molecular weight of 162.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethylsulfonyloxirane is sourced from PubChem (CID 102568352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).