3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide

C10H18O4S — CID 165489682

IUPAC3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O4S/c1-2-3-5-13-6-7-14-10-4-8-15(11,12)9-10/h4,8,10H,2-3,5-7,9H2,1H3
InChIKeyJDYMGUPVTQZUPL-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.13
Rot. Bonds7

About 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide

3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489682) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489682
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O4S/c1-2-3-5-13-6-7-14-10-4-8-15(11,12)9-10/h4,8,10H,2-3,5-7,9H2,1H3
InChIKeyJDYMGUPVTQZUPL-UHFFFAOYSA-N
XLogP1.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.13
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 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489682) is 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide is CCCCOCCOC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is JDYMGUPVTQZUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-2-3-5-13-6-7-14-10-4-8-15(11,12)9-10/h4,8,10H,2-3,5-7,9H2,1H3.
What are the key properties of 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 234.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).