oxo(undecyl)sulfanium

C11H23OS+ — CID 174347950

IUPACoxo(undecyl)sulfanium
SMILESCCCCCCCCCCC[S+]=O
InChIInChI=1S/C11H23OS/c1-2-3-4-5-6-7-8-9-10-11-13-12/h2-11H2,1H3/q+1
InChIKeyDUWPGFFLWXXEHU-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.95
Rot. Bonds10

About oxo(undecyl)sulfanium

oxo(undecyl)sulfanium (PubChem CID 174347950) has the molecular formula C11H23OS+ and a molecular weight of 203.37 g/mol. Its IUPAC name is oxo(undecyl)sulfanium.

Molecular Properties

Compound Nameoxo(undecyl)sulfanium
PubChem CID174347950
Molecular FormulaC11H23OS+
Molecular Weight203.37 g/mol
Exact Mass203.15
IUPAC Nameoxo(undecyl)sulfanium
SMILESCCCCCCCCCCC[S+]=O
InChIInChI=1S/C11H23OS/c1-2-3-4-5-6-7-8-9-10-11-13-12/h2-11H2,1H3/q+1
InChIKeyDUWPGFFLWXXEHU-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecyl(oxo)sulfanium;methylsulfinylmethane
CID 174334118
octane;oxo(sulfanyl)sulfanium
CID 172788887
triacontane
CID 12535
dictane
CID 19848341
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
dohexacontane
CID 522644
CID 161246447
CID 161246447
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of oxo(undecyl)sulfanium?
The IUPAC name of oxo(undecyl)sulfanium (CID 174347950) is oxo(undecyl)sulfanium.
What is the SMILES notation for oxo(undecyl)sulfanium?
The canonical SMILES for oxo(undecyl)sulfanium is CCCCCCCCCCC[S+]=O.
What is the InChIKey of oxo(undecyl)sulfanium?
The InChIKey is DUWPGFFLWXXEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OS/c1-2-3-4-5-6-7-8-9-10-11-13-12/h2-11H2,1H3/q+1.
What are the key properties of oxo(undecyl)sulfanium?
oxo(undecyl)sulfanium has a molecular weight of 203.37 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(undecyl)sulfanium is sourced from PubChem (CID 174347950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).