3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide

C11H20O3S — CID 176603899

IUPAC3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide
SMILESC=COCCCC1(CC)CCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-3-11(6-5-8-14-4-2)7-9-15(12,13)10-11/h4H,2-3,5-10H2,1H3
InChIKeyACLDBYRDOWWHCJ-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.14
Rot. Bonds6

About 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide

3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide (PubChem CID 176603899) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide
PubChem CID176603899
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide
SMILESC=COCCCC1(CC)CCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-3-11(6-5-8-14-4-2)7-9-15(12,13)10-11/h4H,2-3,5-10H2,1H3
InChIKeyACLDBYRDOWWHCJ-UHFFFAOYSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methoxyethyl)-3-methylthiolane 1,1-dioxide
CID 168955034
2-Ethyl-2-(2-methoxyethyl)thiolane 1,1-dioxide
CID 176368992
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
3-(Ethenoxymethyl)-3-ethylthiepane 1-oxide
CID 176603212
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-(Ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603454
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
2-(3-Ethenoxypropyl)-2-ethylthiolane 1,1-dioxide
CID 176603566

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide?
The IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide (CID 176603899) is 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide?
The canonical SMILES for 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide is C=COCCCC1(CC)CCS(=O)(=O)C1.
What is the InChIKey of 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide?
The InChIKey is ACLDBYRDOWWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-3-11(6-5-8-14-4-2)7-9-15(12,13)10-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide?
3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)-3-ethylthiolane 1,1-dioxide is sourced from PubChem (CID 176603899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).