1-(2-ethenylsulfonylethoxy)propane

C7H14O3S — CID 58785858

IUPAC1-(2-ethenylsulfonylethoxy)propane
SMILESC=CS(=O)(=O)CCOCCC
InChIInChI=1S/C7H14O3S/c1-3-5-10-6-7-11(8,9)4-2/h4H,2-3,5-7H2,1H3
InChIKeySMLLYYTWFFEHRW-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.97
Rot. Bonds6

About 1-(2-ethenylsulfonylethoxy)propane

1-(2-ethenylsulfonylethoxy)propane (PubChem CID 58785858) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(2-ethenylsulfonylethoxy)propane.

Molecular Properties

Compound Name1-(2-ethenylsulfonylethoxy)propane
PubChem CID58785858
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-(2-ethenylsulfonylethoxy)propane
SMILESC=CS(=O)(=O)CCOCCC
InChIInChI=1S/C7H14O3S/c1-3-5-10-6-7-11(8,9)4-2/h4H,2-3,5-7H2,1H3
InChIKeySMLLYYTWFFEHRW-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylsulfonylethoxy)propane?
The IUPAC name of 1-(2-ethenylsulfonylethoxy)propane (CID 58785858) is 1-(2-ethenylsulfonylethoxy)propane.
What is the SMILES notation for 1-(2-ethenylsulfonylethoxy)propane?
The canonical SMILES for 1-(2-ethenylsulfonylethoxy)propane is C=CS(=O)(=O)CCOCCC.
What is the InChIKey of 1-(2-ethenylsulfonylethoxy)propane?
The InChIKey is SMLLYYTWFFEHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-5-10-6-7-11(8,9)4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-(2-ethenylsulfonylethoxy)propane?
1-(2-ethenylsulfonylethoxy)propane has a molecular weight of 178.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylsulfonylethoxy)propane is sourced from PubChem (CID 58785858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).