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

C10H18O5S — CID 165489685

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O5S/c1-13-4-2-5-14-6-7-15-10-3-8-16(11,12)9-10/h3,8,10H,2,4-7,9H2,1H3
InChIKeyBLIQFNCBXVKUIP-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.37
Rot. Bonds8

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

3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489685) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489685
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCOCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O5S/c1-13-4-2-5-14-6-7-15-10-3-8-16(11,12)9-10/h3,8,10H,2,4-7,9H2,1H3
InChIKeyBLIQFNCBXVKUIP-UHFFFAOYSA-N
XLogP0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.37
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-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide (CID 165489685) is 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide is COCCCOCCOC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is BLIQFNCBXVKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-13-4-2-5-14-6-7-15-10-3-8-16(11,12)9-10/h3,8,10H,2,4-7,9H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide?
3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 250.32 g/mol, XLogP of 0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).