1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane

C8H18O4S — CID 15864746

IUPAC1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane
SMILESCCOCCS(=O)(=O)CCOCC
InChIInChI=1S/C8H18O4S/c1-3-11-5-7-13(9,10)8-6-12-4-2/h3-8H2,1-2H3
InChIKeyUXPOCGSYBROLDW-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.47
Rot. Bonds8

About 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane

1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane (PubChem CID 15864746) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane
PubChem CID15864746
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane
SMILESCCOCCS(=O)(=O)CCOCC
InChIInChI=1S/C8H18O4S/c1-3-11-5-7-13(9,10)8-6-12-4-2/h3-8H2,1-2H3
InChIKeyUXPOCGSYBROLDW-UHFFFAOYSA-N
XLogP0.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-ethoxyethylsulfonyl)ethane?
The IUPAC name of 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane (CID 15864746) is 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane.
What is the SMILES notation for 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane?
The canonical SMILES for 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane is CCOCCS(=O)(=O)CCOCC.
What is the InChIKey of 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane?
The InChIKey is UXPOCGSYBROLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-3-11-5-7-13(9,10)8-6-12-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane?
1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane has a molecular weight of 210.29 g/mol, XLogP of 0.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-ethoxyethylsulfonyl)ethane is sourced from PubChem (CID 15864746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).