3-tert-butyl-3-methylsulfonyloxetane

C8H16O3S — CID 126763965

IUPAC3-tert-butyl-3-methylsulfonyloxetane
SMILESCC(C)(C)C1(S(C)(=O)=O)COC1
InChIInChI=1S/C8H16O3S/c1-7(2,3)8(5-11-6-8)12(4,9)10/h5-6H2,1-4H3
InChIKeyAEGUNXGOFITFTN-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds1

About 3-tert-butyl-3-methylsulfonyloxetane

3-tert-butyl-3-methylsulfonyloxetane (PubChem CID 126763965) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-tert-butyl-3-methylsulfonyloxetane.

Molecular Properties

Compound Name3-tert-butyl-3-methylsulfonyloxetane
PubChem CID126763965
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-tert-butyl-3-methylsulfonyloxetane
SMILESCC(C)(C)C1(S(C)(=O)=O)COC1
InChIInChI=1S/C8H16O3S/c1-7(2,3)8(5-11-6-8)12(4,9)10/h5-6H2,1-4H3
InChIKeyAEGUNXGOFITFTN-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methylsulfonyloxetane?
The IUPAC name of 3-tert-butyl-3-methylsulfonyloxetane (CID 126763965) is 3-tert-butyl-3-methylsulfonyloxetane.
What is the SMILES notation for 3-tert-butyl-3-methylsulfonyloxetane?
The canonical SMILES for 3-tert-butyl-3-methylsulfonyloxetane is CC(C)(C)C1(S(C)(=O)=O)COC1.
What is the InChIKey of 3-tert-butyl-3-methylsulfonyloxetane?
The InChIKey is AEGUNXGOFITFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2,3)8(5-11-6-8)12(4,9)10/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methylsulfonyloxetane?
3-tert-butyl-3-methylsulfonyloxetane has a molecular weight of 192.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methylsulfonyloxetane is sourced from PubChem (CID 126763965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).