methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate

C2H6O27S — CID 156622764

IUPACmethylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
SMILESCOOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O
InChIInChI=1S/C2H6O27S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4/h1-2H3
InChIKeyMASNRMPWUAQJQE-UHFFFAOYSA-N
MW494.11 g/mol
LogP-2.05
Rot. Bonds25

About methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate

methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate (PubChem CID 156622764) has the molecular formula C2H6O27S and a molecular weight of 494.11 g/mol. Its IUPAC name is methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate.

Molecular Properties

Compound Namemethylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
PubChem CID156622764
Molecular FormulaC2H6O27S
Molecular Weight494.11 g/mol
Exact Mass493.88
IUPAC Namemethylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
SMILESCOOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O
InChIInChI=1S/C2H6O27S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4/h1-2H3
InChIKeyMASNRMPWUAQJQE-UHFFFAOYSA-N
XLogP-2.05
TPSA264.89 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.11
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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'}

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Frequently Asked Questions

What is the IUPAC name of methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The IUPAC name of methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate (CID 156622764) is methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate.
What is the SMILES notation for methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The canonical SMILES for methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate is COOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O.
What is the InChIKey of methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The InChIKey is MASNRMPWUAQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O27S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4/h1-2H3.
What are the key properties of methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate has a molecular weight of 494.11 g/mol, XLogP of -2.05, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate is sourced from PubChem (CID 156622764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).