2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid

C11H22O8S — CID 155251143

IUPAC2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESCCC(OCCOCCOCCOS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H22O8S/c1-3-10(11(12)13)18-8-6-16-4-5-17-7-9-19-20(2,14)15/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyZGVZQUWVQBEXSO-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.12
Rot. Bonds13

About 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid

2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid (PubChem CID 155251143) has the molecular formula C11H22O8S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
PubChem CID155251143
Molecular FormulaC11H22O8S
Molecular Weight314.36 g/mol
Exact Mass314.10
IUPAC Name2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESCCC(OCCOCCOCCOS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H22O8S/c1-3-10(11(12)13)18-8-6-16-4-5-17-7-9-19-20(2,14)15/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyZGVZQUWVQBEXSO-UHFFFAOYSA-N
XLogP-0.12
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-propoxyethyl trifluoromethanesulfonate
CID 106509992
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
2-(5-aminopentoxy)butanoic acid
CID 82352847
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
2-fluoro-2-(2-propoxyethoxy)acetic acid
CID 79357516

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid?
The IUPAC name of 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid (CID 155251143) is 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid.
What is the SMILES notation for 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid?
The canonical SMILES for 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid is CCC(OCCOCCOCCOS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid?
The InChIKey is ZGVZQUWVQBEXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O8S/c1-3-10(11(12)13)18-8-6-16-4-5-17-7-9-19-20(2,14)15/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid?
2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid has a molecular weight of 314.36 g/mol, XLogP of -0.12, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid is sourced from PubChem (CID 155251143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).