1-methoxy-2-methyl-3-methylsulfonylpropane

C6H14O3S — CID 23517259

IUPAC1-methoxy-2-methyl-3-methylsulfonylpropane
SMILESCOCC(C)CS(C)(=O)=O
InChIInChI=1S/C6H14O3S/c1-6(4-9-2)5-10(3,7)8/h6H,4-5H2,1-3H3
InChIKeyJVOFAQFKWCPRTQ-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.31
Rot. Bonds4

About 1-methoxy-2-methyl-3-methylsulfonylpropane

1-methoxy-2-methyl-3-methylsulfonylpropane (PubChem CID 23517259) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-methylsulfonylpropane.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-methylsulfonylpropane
PubChem CID23517259
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-methoxy-2-methyl-3-methylsulfonylpropane
SMILESCOCC(C)CS(C)(=O)=O
InChIInChI=1S/C6H14O3S/c1-6(4-9-2)5-10(3,7)8/h6H,4-5H2,1-3H3
InChIKeyJVOFAQFKWCPRTQ-UHFFFAOYSA-N
XLogP0.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-methylsulfonylpropane?
The IUPAC name of 1-methoxy-2-methyl-3-methylsulfonylpropane (CID 23517259) is 1-methoxy-2-methyl-3-methylsulfonylpropane.
What is the SMILES notation for 1-methoxy-2-methyl-3-methylsulfonylpropane?
The canonical SMILES for 1-methoxy-2-methyl-3-methylsulfonylpropane is COCC(C)CS(C)(=O)=O.
What is the InChIKey of 1-methoxy-2-methyl-3-methylsulfonylpropane?
The InChIKey is JVOFAQFKWCPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-6(4-9-2)5-10(3,7)8/h6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-methylsulfonylpropane?
1-methoxy-2-methyl-3-methylsulfonylpropane has a molecular weight of 166.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-methylsulfonylpropane is sourced from PubChem (CID 23517259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).