1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene

C8H14O5S2 — CID 57105506

IUPAC1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene
SMILESCCS(=O)(=O)C=COC=CS(=O)(=O)CC
InChIInChI=1S/C8H14O5S2/c1-3-14(9,10)7-5-13-6-8-15(11,12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZHFBTSSVBIKCPH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.81
Rot. Bonds6

About 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene

1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene (PubChem CID 57105506) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene.

Molecular Properties

Compound Name1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene
PubChem CID57105506
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene
SMILESCCS(=O)(=O)C=COC=CS(=O)(=O)CC
InChIInChI=1S/C8H14O5S2/c1-3-14(9,10)7-5-13-6-8-15(11,12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZHFBTSSVBIKCPH-UHFFFAOYSA-N
XLogP0.81
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-ethylsulfonylethenoxy)ethene?
The IUPAC name of 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene (CID 57105506) is 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene.
What is the SMILES notation for 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene?
The canonical SMILES for 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene is CCS(=O)(=O)C=COC=CS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene?
The InChIKey is ZHFBTSSVBIKCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-3-14(9,10)7-5-13-6-8-15(11,12)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene?
1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene has a molecular weight of 254.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene is sourced from PubChem (CID 57105506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).