3-methyl-3-(2-methylpropylsulfonyl)oxetane

C8H16O3S — CID 58814819

IUPAC3-methyl-3-(2-methylpropylsulfonyl)oxetane
SMILESCC(C)CS(=O)(=O)C1(C)COC1
InChIInChI=1S/C8H16O3S/c1-7(2)4-12(9,10)8(3)5-11-6-8/h7H,4-6H2,1-3H3
InChIKeyTVCXFMSBDSLFBZ-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds3

About 3-methyl-3-(2-methylpropylsulfonyl)oxetane

3-methyl-3-(2-methylpropylsulfonyl)oxetane (PubChem CID 58814819) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropylsulfonyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropylsulfonyl)oxetane
PubChem CID58814819
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-methyl-3-(2-methylpropylsulfonyl)oxetane
SMILESCC(C)CS(=O)(=O)C1(C)COC1
InChIInChI=1S/C8H16O3S/c1-7(2)4-12(9,10)8(3)5-11-6-8/h7H,4-6H2,1-3H3
InChIKeyTVCXFMSBDSLFBZ-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-3-(2-methylpropylsulfonyl)oxetane?
The IUPAC name of 3-methyl-3-(2-methylpropylsulfonyl)oxetane (CID 58814819) is 3-methyl-3-(2-methylpropylsulfonyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2-methylpropylsulfonyl)oxetane?
The canonical SMILES for 3-methyl-3-(2-methylpropylsulfonyl)oxetane is CC(C)CS(=O)(=O)C1(C)COC1.
What is the InChIKey of 3-methyl-3-(2-methylpropylsulfonyl)oxetane?
The InChIKey is TVCXFMSBDSLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)4-12(9,10)8(3)5-11-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpropylsulfonyl)oxetane?
3-methyl-3-(2-methylpropylsulfonyl)oxetane has a molecular weight of 192.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropylsulfonyl)oxetane is sourced from PubChem (CID 58814819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).