cyclopentylsulfonyl ethaneperoxoate

C7H12O5S — CID 20509285

IUPACcyclopentylsulfonyl ethaneperoxoate
SMILESCC(=O)OOS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H12O5S/c1-6(8)11-12-13(9,10)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyJMSLGXGTPUPWQD-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.75
Rot. Bonds3

About cyclopentylsulfonyl ethaneperoxoate

cyclopentylsulfonyl ethaneperoxoate (PubChem CID 20509285) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is cyclopentylsulfonyl ethaneperoxoate.

Molecular Properties

Compound Namecyclopentylsulfonyl ethaneperoxoate
PubChem CID20509285
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Namecyclopentylsulfonyl ethaneperoxoate
SMILESCC(=O)OOS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H12O5S/c1-6(8)11-12-13(9,10)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyJMSLGXGTPUPWQD-UHFFFAOYSA-N
XLogP0.75
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
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 cyclopentylsulfonyl ethaneperoxoate?
The IUPAC name of cyclopentylsulfonyl ethaneperoxoate (CID 20509285) is cyclopentylsulfonyl ethaneperoxoate.
What is the SMILES notation for cyclopentylsulfonyl ethaneperoxoate?
The canonical SMILES for cyclopentylsulfonyl ethaneperoxoate is CC(=O)OOS(=O)(=O)C1CCCC1.
What is the InChIKey of cyclopentylsulfonyl ethaneperoxoate?
The InChIKey is JMSLGXGTPUPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S/c1-6(8)11-12-13(9,10)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of cyclopentylsulfonyl ethaneperoxoate?
cyclopentylsulfonyl ethaneperoxoate has a molecular weight of 208.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylsulfonyl ethaneperoxoate is sourced from PubChem (CID 20509285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).