4-ethyl-4-methyloxathietane 2,2-dioxide

C5H10O3S — CID 134994493

IUPAC4-ethyl-4-methyloxathietane 2,2-dioxide
SMILESCCC1(C)CS(=O)(=O)O1
InChIInChI=1S/C5H10O3S/c1-3-5(2)4-9(6,7)8-5/h3-4H2,1-2H3
InChIKeyQGQBYZKHSLMVPC-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.52
Rot. Bonds1

About 4-ethyl-4-methyloxathietane 2,2-dioxide

4-ethyl-4-methyloxathietane 2,2-dioxide (PubChem CID 134994493) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 4-ethyl-4-methyloxathietane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-4-methyloxathietane 2,2-dioxide
PubChem CID134994493
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name4-ethyl-4-methyloxathietane 2,2-dioxide
SMILESCCC1(C)CS(=O)(=O)O1
InChIInChI=1S/C5H10O3S/c1-3-5(2)4-9(6,7)8-5/h3-4H2,1-2H3
InChIKeyQGQBYZKHSLMVPC-UHFFFAOYSA-N
XLogP0.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyloxathietane 2,2-dioxide?
The IUPAC name of 4-ethyl-4-methyloxathietane 2,2-dioxide (CID 134994493) is 4-ethyl-4-methyloxathietane 2,2-dioxide.
What is the SMILES notation for 4-ethyl-4-methyloxathietane 2,2-dioxide?
The canonical SMILES for 4-ethyl-4-methyloxathietane 2,2-dioxide is CCC1(C)CS(=O)(=O)O1.
What is the InChIKey of 4-ethyl-4-methyloxathietane 2,2-dioxide?
The InChIKey is QGQBYZKHSLMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-5(2)4-9(6,7)8-5/h3-4H2,1-2H3.
What are the key properties of 4-ethyl-4-methyloxathietane 2,2-dioxide?
4-ethyl-4-methyloxathietane 2,2-dioxide has a molecular weight of 150.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyloxathietane 2,2-dioxide is sourced from PubChem (CID 134994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).