4-methyl-4-methylsulfonyloxane

C7H14O3S — CID 58169936

IUPAC4-methyl-4-methylsulfonyloxane
SMILESCC1(S(C)(=O)=O)CCOCC1
InChIInChI=1S/C7H14O3S/c1-7(11(2,8)9)3-5-10-6-4-7/h3-6H2,1-2H3
InChIKeyRQUPTIMBXQDMCB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.60
Rot. Bonds1

About 4-methyl-4-methylsulfonyloxane

4-methyl-4-methylsulfonyloxane (PubChem CID 58169936) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-methyl-4-methylsulfonyloxane.

Molecular Properties

Compound Name4-methyl-4-methylsulfonyloxane
PubChem CID58169936
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-methyl-4-methylsulfonyloxane
SMILESCC1(S(C)(=O)=O)CCOCC1
InChIInChI=1S/C7H14O3S/c1-7(11(2,8)9)3-5-10-6-4-7/h3-6H2,1-2H3
InChIKeyRQUPTIMBXQDMCB-UHFFFAOYSA-N
XLogP0.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-methylsulfonyloxane?
The IUPAC name of 4-methyl-4-methylsulfonyloxane (CID 58169936) is 4-methyl-4-methylsulfonyloxane.
What is the SMILES notation for 4-methyl-4-methylsulfonyloxane?
The canonical SMILES for 4-methyl-4-methylsulfonyloxane is CC1(S(C)(=O)=O)CCOCC1.
What is the InChIKey of 4-methyl-4-methylsulfonyloxane?
The InChIKey is RQUPTIMBXQDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-7(11(2,8)9)3-5-10-6-4-7/h3-6H2,1-2H3.
What are the key properties of 4-methyl-4-methylsulfonyloxane?
4-methyl-4-methylsulfonyloxane has a molecular weight of 178.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-methylsulfonyloxane is sourced from PubChem (CID 58169936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).