3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane

C11H22O3S — CID 164830164

IUPAC3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane
SMILESCC(C)(C)C(CCS(C)(=O)=O)C1COC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)10(9-7-14-8-9)5-6-15(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyOQNLFHMXRMSOJU-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.73
Rot. Bonds4

About 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane

3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane (PubChem CID 164830164) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane.

Molecular Properties

Compound Name3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane
PubChem CID164830164
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane
SMILESCC(C)(C)C(CCS(C)(=O)=O)C1COC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)10(9-7-14-8-9)5-6-15(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyOQNLFHMXRMSOJU-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-(2,3,3-Trimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253222
(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59253296
3-Tert-butyl-3-methylsulfonyloxetane
CID 126763965
1-Methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane
CID 130350882
3-(6-Methoxy-2,2,4,4-tetramethylhexyl)-3-methyl-1,3-oxathietane 3-oxide
CID 130351154
3-(3-Methylbutylsulfonylmethyl)-3-propan-2-yloxetane
CID 140915565
3-(4,4-Dimethyl-1-methylsulfanylpentan-3-yl)oxetane
CID 155356520
3-(3-Methoxybutyl)thietane 1,1-dioxide
CID 155624822
4-(Methoxymethyl)-2,2,4-trimethyl-1-methylsulfonylhexane
CID 156141120
1-Methoxy-2,3,3-trimethylbutane;2,3,3-trimethyl-1-methylsulfonylbutane;2,2,3-trimethylpentane
CID 157169486
3-Tert-butyloxetane;3-tert-butylthietane 1,1-dioxide
CID 160736538

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane?
The IUPAC name of 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane (CID 164830164) is 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane.
What is the SMILES notation for 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane?
The canonical SMILES for 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane is CC(C)(C)C(CCS(C)(=O)=O)C1COC1.
What is the InChIKey of 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane?
The InChIKey is OQNLFHMXRMSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-11(2,3)10(9-7-14-8-9)5-6-15(4,12)13/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane?
3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane has a molecular weight of 234.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1-methylsulfonylpentan-3-yl)oxetane is sourced from PubChem (CID 164830164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).