2-(methoxymethylsulfonyl)-2-methylpropane

C6H14O3S — CID 12629501

IUPAC2-(methoxymethylsulfonyl)-2-methylpropane
SMILESCOCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H14O3S/c1-6(2,3)10(7,8)5-9-4/h5H2,1-4H3
InChIKeyMFJYEKOUYUTVDK-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.80
Rot. Bonds2

About 2-(methoxymethylsulfonyl)-2-methylpropane

2-(methoxymethylsulfonyl)-2-methylpropane (PubChem CID 12629501) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-(methoxymethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(methoxymethylsulfonyl)-2-methylpropane
PubChem CID12629501
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name2-(methoxymethylsulfonyl)-2-methylpropane
SMILESCOCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H14O3S/c1-6(2,3)10(7,8)5-9-4/h5H2,1-4H3
InChIKeyMFJYEKOUYUTVDK-UHFFFAOYSA-N
XLogP0.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(methoxymethylsulfonyl)-2-methylpropane (CID 12629501) is 2-(methoxymethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(methoxymethylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(methoxymethylsulfonyl)-2-methylpropane is COCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(methoxymethylsulfonyl)-2-methylpropane?
The InChIKey is MFJYEKOUYUTVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-6(2,3)10(7,8)5-9-4/h5H2,1-4H3.
What are the key properties of 2-(methoxymethylsulfonyl)-2-methylpropane?
2-(methoxymethylsulfonyl)-2-methylpropane has a molecular weight of 166.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 12629501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).