3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide

C11H20O4S — CID 165489723

IUPAC3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC(C)C(COC1C=CS(=O)(=O)C1)OC
InChIInChI=1S/C11H20O4S/c1-4-9(2)11(14-3)7-15-10-5-6-16(12,13)8-10/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyZWBHIHPPZPXQBD-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.37
Rot. Bonds6

About 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide

3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489723) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489723
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC(C)C(COC1C=CS(=O)(=O)C1)OC
InChIInChI=1S/C11H20O4S/c1-4-9(2)11(14-3)7-15-10-5-6-16(12,13)8-10/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyZWBHIHPPZPXQBD-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489723) is 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide is CCC(C)C(COC1C=CS(=O)(=O)C1)OC.
What is the InChIKey of 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is ZWBHIHPPZPXQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-4-9(2)11(14-3)7-15-10-5-6-16(12,13)8-10/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 248.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).