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

C10H18O3S — CID 165489678

IUPAC3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC(CC)COC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-9(4-2)7-13-10-5-6-14(11,12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyGVPIDIZNBFUQCR-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds5

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

3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489678) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489678
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC(CC)COC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-9(4-2)7-13-10-5-6-14(11,12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyGVPIDIZNBFUQCR-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489678) is 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide is CCC(CC)COC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is GVPIDIZNBFUQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-9(4-2)7-13-10-5-6-14(11,12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).