1-ethoxy-1-ethylsulfonyl-1-methoxyethane

C7H16O4S — CID 87183016

IUPAC1-ethoxy-1-ethylsulfonyl-1-methoxyethane
SMILESCCOC(C)(OC)S(=O)(=O)CC
InChIInChI=1S/C7H16O4S/c1-5-11-7(3,10-4)12(8,9)6-2/h5-6H2,1-4H3
InChIKeyAJZIQLZBAOSQJB-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.78
Rot. Bonds5

About 1-ethoxy-1-ethylsulfonyl-1-methoxyethane

1-ethoxy-1-ethylsulfonyl-1-methoxyethane (PubChem CID 87183016) has the molecular formula C7H16O4S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-ethoxy-1-ethylsulfonyl-1-methoxyethane.

Molecular Properties

Compound Name1-ethoxy-1-ethylsulfonyl-1-methoxyethane
PubChem CID87183016
Molecular FormulaC7H16O4S
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Name1-ethoxy-1-ethylsulfonyl-1-methoxyethane
SMILESCCOC(C)(OC)S(=O)(=O)CC
InChIInChI=1S/C7H16O4S/c1-5-11-7(3,10-4)12(8,9)6-2/h5-6H2,1-4H3
InChIKeyAJZIQLZBAOSQJB-UHFFFAOYSA-N
XLogP0.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-ethylsulfonyl-1-methoxyethane?
The IUPAC name of 1-ethoxy-1-ethylsulfonyl-1-methoxyethane (CID 87183016) is 1-ethoxy-1-ethylsulfonyl-1-methoxyethane.
What is the SMILES notation for 1-ethoxy-1-ethylsulfonyl-1-methoxyethane?
The canonical SMILES for 1-ethoxy-1-ethylsulfonyl-1-methoxyethane is CCOC(C)(OC)S(=O)(=O)CC.
What is the InChIKey of 1-ethoxy-1-ethylsulfonyl-1-methoxyethane?
The InChIKey is AJZIQLZBAOSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S/c1-5-11-7(3,10-4)12(8,9)6-2/h5-6H2,1-4H3.
What are the key properties of 1-ethoxy-1-ethylsulfonyl-1-methoxyethane?
1-ethoxy-1-ethylsulfonyl-1-methoxyethane has a molecular weight of 196.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-ethylsulfonyl-1-methoxyethane is sourced from PubChem (CID 87183016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).