2-ethyl-2-methyl-4-methylsulfonylbutanoic acid

C8H16O4S — CID 62740267

IUPAC2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
SMILESCCC(C)(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C8H16O4S/c1-4-8(2,7(9)10)5-6-13(3,11)12/h4-6H2,1-3H3,(H,9,10)
InChIKeyMWACQILOWDAOBG-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.92
Rot. Bonds5

About 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid

2-ethyl-2-methyl-4-methylsulfonylbutanoic acid (PubChem CID 62740267) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
PubChem CID62740267
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
SMILESCCC(C)(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C8H16O4S/c1-4-8(2,7(9)10)5-6-13(3,11)12/h4-6H2,1-3H3,(H,9,10)
InChIKeyMWACQILOWDAOBG-UHFFFAOYSA-N
XLogP0.92
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
3-ethyl-1-methylsulfonylpentan-3-amine
CID 62621091
2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid (CID 62740267) is 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid is CCC(C)(CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid?
The InChIKey is MWACQILOWDAOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-4-8(2,7(9)10)5-6-13(3,11)12/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid?
2-ethyl-2-methyl-4-methylsulfonylbutanoic acid has a molecular weight of 208.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 62740267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).