2-cyclohexylsulfonylethaneperoxoic acid

C8H14O5S — CID 163740166

IUPAC2-cyclohexylsulfonylethaneperoxoic acid
SMILESO=C(CS(=O)(=O)C1CCCCC1)OO
InChIInChI=1S/C8H14O5S/c9-8(13-10)6-14(11,12)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyLHBAVPFHMQDFQI-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.75
Rot. Bonds3

About 2-cyclohexylsulfonylethaneperoxoic acid

2-cyclohexylsulfonylethaneperoxoic acid (PubChem CID 163740166) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-cyclohexylsulfonylethaneperoxoic acid.

Molecular Properties

Compound Name2-cyclohexylsulfonylethaneperoxoic acid
PubChem CID163740166
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-cyclohexylsulfonylethaneperoxoic acid
SMILESO=C(CS(=O)(=O)C1CCCCC1)OO
InChIInChI=1S/C8H14O5S/c9-8(13-10)6-14(11,12)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyLHBAVPFHMQDFQI-UHFFFAOYSA-N
XLogP0.75
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonylethaneperoxoic acid?
The IUPAC name of 2-cyclohexylsulfonylethaneperoxoic acid (CID 163740166) is 2-cyclohexylsulfonylethaneperoxoic acid.
What is the SMILES notation for 2-cyclohexylsulfonylethaneperoxoic acid?
The canonical SMILES for 2-cyclohexylsulfonylethaneperoxoic acid is O=C(CS(=O)(=O)C1CCCCC1)OO.
What is the InChIKey of 2-cyclohexylsulfonylethaneperoxoic acid?
The InChIKey is LHBAVPFHMQDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S/c9-8(13-10)6-14(11,12)7-4-2-1-3-5-7/h7,10H,1-6H2.
What are the key properties of 2-cyclohexylsulfonylethaneperoxoic acid?
2-cyclohexylsulfonylethaneperoxoic acid has a molecular weight of 222.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonylethaneperoxoic acid is sourced from PubChem (CID 163740166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).