18-hydroxyoctadecane-1-sulfonic acid

C18H38O4S — CID 22372907

IUPAC18-hydroxyoctadecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O4S/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20,21)22/h19H,1-18H2,(H,20,21,22)
InChIKeyHZTUZUCVMOOCGD-UHFFFAOYSA-N
MW350.57 g/mol
LogP5.11
Rot. Bonds18

About 18-hydroxyoctadecane-1-sulfonic acid

18-hydroxyoctadecane-1-sulfonic acid (PubChem CID 22372907) has the molecular formula C18H38O4S and a molecular weight of 350.57 g/mol. Its IUPAC name is 18-hydroxyoctadecane-1-sulfonic acid.

Molecular Properties

Compound Name18-hydroxyoctadecane-1-sulfonic acid
PubChem CID22372907
Molecular FormulaC18H38O4S
Molecular Weight350.57 g/mol
Exact Mass350.25
IUPAC Name18-hydroxyoctadecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O4S/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20,21)22/h19H,1-18H2,(H,20,21,22)
InChIKeyHZTUZUCVMOOCGD-UHFFFAOYSA-N
XLogP5.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 18-hydroxyoctadecane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
octane-1,8-disulfonic acid
CID 18172926
CID 175797293
CID 175797293
pentane-1,5-disulfonic acid;hydrate
CID 133062445
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
(Z)-but-2-enedioic acid;4-hydroxybutane-1-sulfonic acid
CID 174906570
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
butane-1,4-disulfonic acid;ethene
CID 173210763
3-[6-hydroxyhexyl(methyl)amino]propane-1-sulfonic acid
CID 90429262
5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792

Frequently Asked Questions

What is the IUPAC name of 18-hydroxyoctadecane-1-sulfonic acid?
The IUPAC name of 18-hydroxyoctadecane-1-sulfonic acid (CID 22372907) is 18-hydroxyoctadecane-1-sulfonic acid.
What is the SMILES notation for 18-hydroxyoctadecane-1-sulfonic acid?
The canonical SMILES for 18-hydroxyoctadecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 18-hydroxyoctadecane-1-sulfonic acid?
The InChIKey is HZTUZUCVMOOCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20,21)22/h19H,1-18H2,(H,20,21,22).
What are the key properties of 18-hydroxyoctadecane-1-sulfonic acid?
18-hydroxyoctadecane-1-sulfonic acid has a molecular weight of 350.57 g/mol, XLogP of 5.11, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxyoctadecane-1-sulfonic acid is sourced from PubChem (CID 22372907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).