11-sulfoperoxyundecanoic acid

C11H22O7S — CID 87147269

IUPAC11-sulfoperoxyundecanoic acid
SMILESO=C(O)CCCCCCCCCCOOS(=O)(=O)O
InChIInChI=1S/C11H22O7S/c12-11(13)9-7-5-3-1-2-4-6-8-10-17-18-19(14,15)16/h1-10H2,(H,12,13)(H,14,15,16)
InChIKeyYYLKILNMQIJPQF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.33
Rot. Bonds13

About 11-sulfoperoxyundecanoic acid

11-sulfoperoxyundecanoic acid (PubChem CID 87147269) has the molecular formula C11H22O7S and a molecular weight of 298.36 g/mol. Its IUPAC name is 11-sulfoperoxyundecanoic acid.

Molecular Properties

Compound Name11-sulfoperoxyundecanoic acid
PubChem CID87147269
Molecular FormulaC11H22O7S
Molecular Weight298.36 g/mol
Exact Mass298.11
IUPAC Name11-sulfoperoxyundecanoic acid
SMILESO=C(O)CCCCCCCCCCOOS(=O)(=O)O
InChIInChI=1S/C11H22O7S/c12-11(13)9-7-5-3-1-2-4-6-8-10-17-18-19(14,15)16/h1-10H2,(H,12,13)(H,14,15,16)
InChIKeyYYLKILNMQIJPQF-UHFFFAOYSA-N
XLogP2.33
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(8-sulfoperoxyoctyl)butanedioic acid
CID 151386876
7-(trioxidanyl)heptanoic acid
CID 150083472
12-hydroxysulfonothioyloxydodecanoic acid
CID 54001849
7-chloroperoxyheptanoic acid
CID 142431695
7-methylperoxyheptanoic acid
CID 156663911
sodium;dodecyl hydrogen sulfate;hydride;octadecanoic acid
CID 174338183
tridecanedioic acid;undecanedioic acid
CID 158333715
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 11-sulfoperoxyundecanoic acid?
The IUPAC name of 11-sulfoperoxyundecanoic acid (CID 87147269) is 11-sulfoperoxyundecanoic acid.
What is the SMILES notation for 11-sulfoperoxyundecanoic acid?
The canonical SMILES for 11-sulfoperoxyundecanoic acid is O=C(O)CCCCCCCCCCOOS(=O)(=O)O.
What is the InChIKey of 11-sulfoperoxyundecanoic acid?
The InChIKey is YYLKILNMQIJPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7S/c12-11(13)9-7-5-3-1-2-4-6-8-10-17-18-19(14,15)16/h1-10H2,(H,12,13)(H,14,15,16).
What are the key properties of 11-sulfoperoxyundecanoic acid?
11-sulfoperoxyundecanoic acid has a molecular weight of 298.36 g/mol, XLogP of 2.33, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-sulfoperoxyundecanoic acid is sourced from PubChem (CID 87147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).