2-sulfoundecanoic acid

C11H22O5S — CID 23139684

IUPAC2-sulfoundecanoic acid
SMILESCCCCCCCCCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C11H22O5S/c1-2-3-4-5-6-7-8-9-10(11(12)13)17(14,15)16/h10H,2-9H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyYIJSPZMFAVQOJE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.47
Rot. Bonds10

About 2-sulfoundecanoic acid

2-sulfoundecanoic acid (PubChem CID 23139684) has the molecular formula C11H22O5S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-sulfoundecanoic acid.

Molecular Properties

Compound Name2-sulfoundecanoic acid
PubChem CID23139684
Molecular FormulaC11H22O5S
Molecular Weight266.36 g/mol
Exact Mass266.12
IUPAC Name2-sulfoundecanoic acid
SMILESCCCCCCCCCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C11H22O5S/c1-2-3-4-5-6-7-8-9-10(11(12)13)17(14,15)16/h10H,2-9H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyYIJSPZMFAVQOJE-UHFFFAOYSA-N
XLogP2.47
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 2-sulfoundecanoic acid?
The IUPAC name of 2-sulfoundecanoic acid (CID 23139684) is 2-sulfoundecanoic acid.
What is the SMILES notation for 2-sulfoundecanoic acid?
The canonical SMILES for 2-sulfoundecanoic acid is CCCCCCCCCC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-sulfoundecanoic acid?
The InChIKey is YIJSPZMFAVQOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S/c1-2-3-4-5-6-7-8-9-10(11(12)13)17(14,15)16/h10H,2-9H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 2-sulfoundecanoic acid?
2-sulfoundecanoic acid has a molecular weight of 266.36 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfoundecanoic acid is sourced from PubChem (CID 23139684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).