3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane

C10H22O4S — CID 88564225

IUPAC3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane
SMILESCOC(C)(C)CCOC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22O4S/c1-9(2,13-5)7-8-14-10(3,4)15(6,11)12/h7-8H2,1-6H3
InChIKeySXHSDTQSDBWLKL-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.60
Rot. Bonds6

About 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane

3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane (PubChem CID 88564225) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane
PubChem CID88564225
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane
SMILESCOC(C)(C)CCOC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22O4S/c1-9(2,13-5)7-8-14-10(3,4)15(6,11)12/h7-8H2,1-6H3
InChIKeySXHSDTQSDBWLKL-UHFFFAOYSA-N
XLogP1.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane (CID 88564225) is 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane is COC(C)(C)CCOC(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane?
The InChIKey is SXHSDTQSDBWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-9(2,13-5)7-8-14-10(3,4)15(6,11)12/h7-8H2,1-6H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane?
3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane has a molecular weight of 238.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methylsulfonylpropan-2-yloxy)butane is sourced from PubChem (CID 88564225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).