2-hydroxyundecane-2-sulfonic acid

C11H24O4S — CID 24797633

IUPAC2-hydroxyundecane-2-sulfonic acid
SMILESCCCCCCCCCC(C)(O)S(=O)(=O)O
InChIInChI=1S/C11H24O4S/c1-3-4-5-6-7-8-9-10-11(2,12)16(13,14)15/h12H,3-10H2,1-2H3,(H,13,14,15)
InChIKeyYFMRRGYITSKCPY-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.72
Rot. Bonds9

About 2-hydroxyundecane-2-sulfonic acid

2-hydroxyundecane-2-sulfonic acid (PubChem CID 24797633) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-hydroxyundecane-2-sulfonic acid.

Molecular Properties

Compound Name2-hydroxyundecane-2-sulfonic acid
PubChem CID24797633
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name2-hydroxyundecane-2-sulfonic acid
SMILESCCCCCCCCCC(C)(O)S(=O)(=O)O
InChIInChI=1S/C11H24O4S/c1-3-4-5-6-7-8-9-10-11(2,12)16(13,14)15/h12H,3-10H2,1-2H3,(H,13,14,15)
InChIKeyYFMRRGYITSKCPY-UHFFFAOYSA-N
XLogP2.72
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.72
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'}

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Related Compounds

21-undecyltritetracontane-21-sulfonic acid
CID 175161908
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
tricosane;trifluoromethanesulfonic acid
CID 161255361
sulfuric acid;tridecane
CID 91872702
2,2-dimethylhenicosane-3,3-diol
CID 141289223
8-heptylpentadecan-8-amine;sulfuric acid
CID 173205041
13-dodecylpentacosan-13-amine;sulfuric acid
CID 173210525
1-amino-2-methylheptane-2-sulfonic acid
CID 86229774
2,2-dihydroxyoctadecanoic acid;sulfuric acid
CID 175211687
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyundecane-2-sulfonic acid?
The IUPAC name of 2-hydroxyundecane-2-sulfonic acid (CID 24797633) is 2-hydroxyundecane-2-sulfonic acid.
What is the SMILES notation for 2-hydroxyundecane-2-sulfonic acid?
The canonical SMILES for 2-hydroxyundecane-2-sulfonic acid is CCCCCCCCCC(C)(O)S(=O)(=O)O.
What is the InChIKey of 2-hydroxyundecane-2-sulfonic acid?
The InChIKey is YFMRRGYITSKCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-3-4-5-6-7-8-9-10-11(2,12)16(13,14)15/h12H,3-10H2,1-2H3,(H,13,14,15).
What are the key properties of 2-hydroxyundecane-2-sulfonic acid?
2-hydroxyundecane-2-sulfonic acid has a molecular weight of 252.38 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyundecane-2-sulfonic acid is sourced from PubChem (CID 24797633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).