1-(2-ethoxyethoxy)propane-2-sulfonic acid

C7H16O5S — CID 150975987

IUPAC1-(2-ethoxyethoxy)propane-2-sulfonic acid
SMILESCCOCCOCC(C)S(=O)(=O)O
InChIInChI=1S/C7H16O5S/c1-3-11-4-5-12-6-7(2)13(8,9)10/h7H,3-6H2,1-2H3,(H,8,9,10)
InChIKeyLPCKEZSEYZLWPH-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.32
Rot. Bonds7

About 1-(2-ethoxyethoxy)propane-2-sulfonic acid

1-(2-ethoxyethoxy)propane-2-sulfonic acid (PubChem CID 150975987) has the molecular formula C7H16O5S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)propane-2-sulfonic acid.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)propane-2-sulfonic acid
PubChem CID150975987
Molecular FormulaC7H16O5S
Molecular Weight212.27 g/mol
Exact Mass212.07
IUPAC Name1-(2-ethoxyethoxy)propane-2-sulfonic acid
SMILESCCOCCOCC(C)S(=O)(=O)O
InChIInChI=1S/C7H16O5S/c1-3-11-4-5-12-6-7(2)13(8,9)10/h7H,3-6H2,1-2H3,(H,8,9,10)
InChIKeyLPCKEZSEYZLWPH-UHFFFAOYSA-N
XLogP0.32
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-but-3-ynoxypropane-2-sulfonic acid
CID 141247656
(2R)-butane-2-sulfonic acid
CID 46398806
2-ethoxyethanol;sulfuric acid
CID 87749123
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
[1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethyl] methanesulfonate
CID 118384295
CID 87069248
CID 87069248
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
CID 90068233
3-ethoxypropane-1,2-disulfonic acid
CID 58983781
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
1-(2-ethoxyethoxy)-2-propan-2-yloxypropane
CID 174484893

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)propane-2-sulfonic acid?
The IUPAC name of 1-(2-ethoxyethoxy)propane-2-sulfonic acid (CID 150975987) is 1-(2-ethoxyethoxy)propane-2-sulfonic acid.
What is the SMILES notation for 1-(2-ethoxyethoxy)propane-2-sulfonic acid?
The canonical SMILES for 1-(2-ethoxyethoxy)propane-2-sulfonic acid is CCOCCOCC(C)S(=O)(=O)O.
What is the InChIKey of 1-(2-ethoxyethoxy)propane-2-sulfonic acid?
The InChIKey is LPCKEZSEYZLWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5S/c1-3-11-4-5-12-6-7(2)13(8,9)10/h7H,3-6H2,1-2H3,(H,8,9,10).
What are the key properties of 1-(2-ethoxyethoxy)propane-2-sulfonic acid?
1-(2-ethoxyethoxy)propane-2-sulfonic acid has a molecular weight of 212.27 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)propane-2-sulfonic acid is sourced from PubChem (CID 150975987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).