1-ethoxy-2-ethylsulfonylethane

C6H14O3S — CID 54573656

IUPAC1-ethoxy-2-ethylsulfonylethane
SMILESCCOCCS(=O)(=O)CC
InChIInChI=1S/C6H14O3S/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyUQYXSSHWKXPYPN-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.46
Rot. Bonds5

About 1-ethoxy-2-ethylsulfonylethane

1-ethoxy-2-ethylsulfonylethane (PubChem CID 54573656) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-ethoxy-2-ethylsulfonylethane.

Molecular Properties

Compound Name1-ethoxy-2-ethylsulfonylethane
PubChem CID54573656
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-ethoxy-2-ethylsulfonylethane
SMILESCCOCCS(=O)(=O)CC
InChIInChI=1S/C6H14O3S/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyUQYXSSHWKXPYPN-UHFFFAOYSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.46
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-ethoxy-2-ethylsulfonylethane?
The IUPAC name of 1-ethoxy-2-ethylsulfonylethane (CID 54573656) is 1-ethoxy-2-ethylsulfonylethane.
What is the SMILES notation for 1-ethoxy-2-ethylsulfonylethane?
The canonical SMILES for 1-ethoxy-2-ethylsulfonylethane is CCOCCS(=O)(=O)CC.
What is the InChIKey of 1-ethoxy-2-ethylsulfonylethane?
The InChIKey is UQYXSSHWKXPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethoxy-2-ethylsulfonylethane?
1-ethoxy-2-ethylsulfonylethane has a molecular weight of 166.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-ethylsulfonylethane is sourced from PubChem (CID 54573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).