4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid

C11H24O7S — CID 58663428

IUPAC4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid
SMILESCC(COCCOCCCCS(=O)(=O)O)OCCO
InChIInChI=1S/C11H24O7S/c1-11(18-6-4-12)10-17-8-7-16-5-2-3-9-19(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)
InChIKeyZPPOVZXIWCNSHH-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.09
Rot. Bonds13

About 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid

4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid (PubChem CID 58663428) has the molecular formula C11H24O7S and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid.

Molecular Properties

Compound Name4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid
PubChem CID58663428
Molecular FormulaC11H24O7S
Molecular Weight300.37 g/mol
Exact Mass300.12
IUPAC Name4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid
SMILESCC(COCCOCCCCS(=O)(=O)O)OCCO
InChIInChI=1S/C11H24O7S/c1-11(18-6-4-12)10-17-8-7-16-5-2-3-9-19(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)
InChIKeyZPPOVZXIWCNSHH-UHFFFAOYSA-N
XLogP0.09
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132
2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594793
2-[2-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethanol
CID 139597047
2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596809
2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594995
2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596934
2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139597772
2-[2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595319
2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139596177
2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597568
2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
CID 118634410

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid?
The IUPAC name of 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid (CID 58663428) is 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid.
What is the SMILES notation for 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid?
The canonical SMILES for 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid is CC(COCCOCCCCS(=O)(=O)O)OCCO.
What is the InChIKey of 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid?
The InChIKey is ZPPOVZXIWCNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O7S/c1-11(18-6-4-12)10-17-8-7-16-5-2-3-9-19(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15).
What are the key properties of 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid?
4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid has a molecular weight of 300.37 g/mol, XLogP of 0.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid is sourced from PubChem (CID 58663428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).