3-(2-tert-butylsulfonylethyl)-3-methyloxetane

C10H20O3S — CID 160692118

IUPAC3-(2-tert-butylsulfonylethyl)-3-methyloxetane
SMILESCC1(CCS(=O)(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H20O3S/c1-9(2,3)14(11,12)6-5-10(4)7-13-8-10/h5-8H2,1-4H3
InChIKeyXLRCDINWKPIHGJ-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-3-methyloxetane

3-(2-tert-butylsulfonylethyl)-3-methyloxetane (PubChem CID 160692118) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-methyloxetane
PubChem CID160692118
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-methyloxetane
SMILESCC1(CCS(=O)(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H20O3S/c1-9(2,3)14(11,12)6-5-10(4)7-13-8-10/h5-8H2,1-4H3
InChIKeyXLRCDINWKPIHGJ-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-methyloxetane?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-methyloxetane (CID 160692118) is 3-(2-tert-butylsulfonylethyl)-3-methyloxetane.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-methyloxetane?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-methyloxetane is CC1(CCS(=O)(=O)C(C)(C)C)COC1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-methyloxetane?
The InChIKey is XLRCDINWKPIHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2,3)14(11,12)6-5-10(4)7-13-8-10/h5-8H2,1-4H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-methyloxetane?
3-(2-tert-butylsulfonylethyl)-3-methyloxetane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-methyloxetane is sourced from PubChem (CID 160692118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).