2-methyl-2-(2-methylsulfonylethoxy)propane

C7H16O3S — CID 89144849

IUPAC2-methyl-2-(2-methylsulfonylethoxy)propane
SMILESCC(C)(C)OCCS(C)(=O)=O
InChIInChI=1S/C7H16O3S/c1-7(2,3)10-5-6-11(4,8)9/h5-6H2,1-4H3
InChIKeyIYCLTMHJPXDKBR-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-2-(2-methylsulfonylethoxy)propane

2-methyl-2-(2-methylsulfonylethoxy)propane (PubChem CID 89144849) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethoxy)propane
PubChem CID89144849
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name2-methyl-2-(2-methylsulfonylethoxy)propane
SMILESCC(C)(C)OCCS(C)(=O)=O
InChIInChI=1S/C7H16O3S/c1-7(2,3)10-5-6-11(4,8)9/h5-6H2,1-4H3
InChIKeyIYCLTMHJPXDKBR-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethoxy)propane?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethoxy)propane (CID 89144849) is 2-methyl-2-(2-methylsulfonylethoxy)propane.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethoxy)propane?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethoxy)propane is CC(C)(C)OCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethoxy)propane?
The InChIKey is IYCLTMHJPXDKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-7(2,3)10-5-6-11(4,8)9/h5-6H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethoxy)propane?
2-methyl-2-(2-methylsulfonylethoxy)propane has a molecular weight of 180.27 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 2-methyl-2-(2-methylsulfonylethoxy)propane is sourced from PubChem (CID 89144849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).