3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

C9H16O5S — CID 165489683

IUPAC3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCC(COC)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c1-12-5-9(6-13-2)14-8-3-4-15(10,11)7-8/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBNJRZJVVEAVZRQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.02
Rot. Bonds6

About 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489683) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489683
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCC(COC)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c1-12-5-9(6-13-2)14-8-3-4-15(10,11)7-8/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBNJRZJVVEAVZRQ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489683) is 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is COCC(COC)OC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is BNJRZJVVEAVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-12-5-9(6-13-2)14-8-3-4-15(10,11)7-8/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 236.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).