2-(2-ethenylsulfonylethoxy)propane

C7H14O3S — CID 121263534

IUPAC2-(2-ethenylsulfonylethoxy)propane
SMILESC=CS(=O)(=O)CCOC(C)C
InChIInChI=1S/C7H14O3S/c1-4-11(8,9)6-5-10-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLBLXRPFGBLQCFC-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-ethenylsulfonylethoxy)propane

2-(2-ethenylsulfonylethoxy)propane (PubChem CID 121263534) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-(2-ethenylsulfonylethoxy)propane.

Molecular Properties

Compound Name2-(2-ethenylsulfonylethoxy)propane
PubChem CID121263534
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-(2-ethenylsulfonylethoxy)propane
SMILESC=CS(=O)(=O)CCOC(C)C
InChIInChI=1S/C7H14O3S/c1-4-11(8,9)6-5-10-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLBLXRPFGBLQCFC-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylsulfonylethoxy)propane?
The IUPAC name of 2-(2-ethenylsulfonylethoxy)propane (CID 121263534) is 2-(2-ethenylsulfonylethoxy)propane.
What is the SMILES notation for 2-(2-ethenylsulfonylethoxy)propane?
The canonical SMILES for 2-(2-ethenylsulfonylethoxy)propane is C=CS(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-(2-ethenylsulfonylethoxy)propane?
The InChIKey is LBLXRPFGBLQCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-4-11(8,9)6-5-10-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-(2-ethenylsulfonylethoxy)propane?
2-(2-ethenylsulfonylethoxy)propane has a molecular weight of 178.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylsulfonylethoxy)propane is sourced from PubChem (CID 121263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).