2-hydroxydecane-1-sulfonic acid

C10H22O4S — CID 3015087

IUPAC2-hydroxydecane-1-sulfonic acid
SMILESCCCCCCCCC(O)CS(=O)(=O)O
InChIInChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-10(11)9-15(12,13)14/h10-11H,2-9H2,1H3,(H,12,13,14)
InChIKeyZWLIPWXABAEXNY-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.99
Rot. Bonds9

About 2-hydroxydecane-1-sulfonic acid

2-hydroxydecane-1-sulfonic acid (PubChem CID 3015087) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-hydroxydecane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxydecane-1-sulfonic acid
PubChem CID3015087
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name2-hydroxydecane-1-sulfonic acid
SMILESCCCCCCCCC(O)CS(=O)(=O)O
InChIInChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-10(11)9-15(12,13)14/h10-11H,2-9H2,1H3,(H,12,13,14)
InChIKeyZWLIPWXABAEXNY-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.99
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 2-hydroxydecane-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxydecane-1-sulfonic acid?
The IUPAC name of 2-hydroxydecane-1-sulfonic acid (CID 3015087) is 2-hydroxydecane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxydecane-1-sulfonic acid?
The canonical SMILES for 2-hydroxydecane-1-sulfonic acid is CCCCCCCCC(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxydecane-1-sulfonic acid?
The InChIKey is ZWLIPWXABAEXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-10(11)9-15(12,13)14/h10-11H,2-9H2,1H3,(H,12,13,14).
What are the key properties of 2-hydroxydecane-1-sulfonic acid?
2-hydroxydecane-1-sulfonic acid has a molecular weight of 238.35 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydecane-1-sulfonic acid is sourced from PubChem (CID 3015087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).