1-ethenoxy-2-methylsulfonylethane

C5H10O3S — CID 86204989

IUPAC1-ethenoxy-2-methylsulfonylethane
SMILESC=COCCS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-3-8-4-5-9(2,6)7/h3H,1,4-5H2,2H3
InChIKeyNJYCRIUOZYIQBA-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.19
Rot. Bonds4

About 1-ethenoxy-2-methylsulfonylethane

1-ethenoxy-2-methylsulfonylethane (PubChem CID 86204989) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-ethenoxy-2-methylsulfonylethane.

Molecular Properties

Compound Name1-ethenoxy-2-methylsulfonylethane
PubChem CID86204989
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-ethenoxy-2-methylsulfonylethane
SMILESC=COCCS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-3-8-4-5-9(2,6)7/h3H,1,4-5H2,2H3
InChIKeyNJYCRIUOZYIQBA-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylsulfonylethane?
The IUPAC name of 1-ethenoxy-2-methylsulfonylethane (CID 86204989) is 1-ethenoxy-2-methylsulfonylethane.
What is the SMILES notation for 1-ethenoxy-2-methylsulfonylethane?
The canonical SMILES for 1-ethenoxy-2-methylsulfonylethane is C=COCCS(C)(=O)=O.
What is the InChIKey of 1-ethenoxy-2-methylsulfonylethane?
The InChIKey is NJYCRIUOZYIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-8-4-5-9(2,6)7/h3H,1,4-5H2,2H3.
What are the key properties of 1-ethenoxy-2-methylsulfonylethane?
1-ethenoxy-2-methylsulfonylethane has a molecular weight of 150.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylsulfonylethane is sourced from PubChem (CID 86204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).