1-ethylsulfonyl-2-methoxyethene

C5H10O3S — CID 57310650

IUPAC1-ethylsulfonyl-2-methoxyethene
SMILESCCS(=O)(=O)C=COC
InChIInChI=1S/C5H10O3S/c1-3-9(6,7)5-4-8-2/h4-5H,3H2,1-2H3
InChIKeyFFNQWKLPJGFCAP-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.54
Rot. Bonds3

About 1-ethylsulfonyl-2-methoxyethene

1-ethylsulfonyl-2-methoxyethene (PubChem CID 57310650) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-methoxyethene.

Molecular Properties

Compound Name1-ethylsulfonyl-2-methoxyethene
PubChem CID57310650
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-ethylsulfonyl-2-methoxyethene
SMILESCCS(=O)(=O)C=COC
InChIInChI=1S/C5H10O3S/c1-3-9(6,7)5-4-8-2/h4-5H,3H2,1-2H3
InChIKeyFFNQWKLPJGFCAP-UHFFFAOYSA-N
XLogP0.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-methoxyethene?
The IUPAC name of 1-ethylsulfonyl-2-methoxyethene (CID 57310650) is 1-ethylsulfonyl-2-methoxyethene.
What is the SMILES notation for 1-ethylsulfonyl-2-methoxyethene?
The canonical SMILES for 1-ethylsulfonyl-2-methoxyethene is CCS(=O)(=O)C=COC.
What is the InChIKey of 1-ethylsulfonyl-2-methoxyethene?
The InChIKey is FFNQWKLPJGFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-9(6,7)5-4-8-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-methoxyethene?
1-ethylsulfonyl-2-methoxyethene has a molecular weight of 150.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-methoxyethene is sourced from PubChem (CID 57310650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).