3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide

C9H16O5S — CID 165494551

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c1-12-3-4-13-5-6-14-9-2-7-15(10,11)8-9/h2,7,9H,3-6,8H2,1H3
InChIKeyCIWZVMGPQHPMOK-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.02
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide

3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494551) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494551
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c1-12-3-4-13-5-6-14-9-2-7-15(10,11)8-9/h2,7,9H,3-6,8H2,1H3
InChIKeyCIWZVMGPQHPMOK-UHFFFAOYSA-N
XLogP-0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide (CID 165494551) is 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide is COCCOCCOC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is CIWZVMGPQHPMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-12-3-4-13-5-6-14-9-2-7-15(10,11)8-9/h2,7,9H,3-6,8H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 236.29 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).