octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate

C59H120O26S — CID 118194880

IUPACoctapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O
InChIInChI=1S/C59H120O26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86(2,60)61/h3-59H2,1-2H3
InChIKeyPLGDXYRNUWPQRK-UHFFFAOYSA-N
MW1277.65 g/mol
LogP20.25
Rot. Bonds81

About octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate

octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate (PubChem CID 118194880) has the molecular formula C59H120O26S and a molecular weight of 1277.65 g/mol. Its IUPAC name is octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate.

Molecular Properties

Compound Nameoctapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
PubChem CID118194880
Molecular FormulaC59H120O26S
Molecular Weight1277.65 g/mol
Exact Mass1276.78
IUPAC Nameoctapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O
InChIInChI=1S/C59H120O26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86(2,60)61/h3-59H2,1-2H3
InChIKeyPLGDXYRNUWPQRK-UHFFFAOYSA-N
XLogP20.25
TPSA255.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds81
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.65
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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'}

Analyze octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate with MolForge

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Launch Full Analysis

Related Compounds

icosoxyperoxy hydrogen sulfate
CID 175785704
1-butylperoxyperoxynonane
CID 90169675
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
tridecylperoxyperoxyperoxymethanediol
CID 172677968
1-propoxyperoxyundecane
CID 90109462
undecylperoxyperoxy hydrogen carbonate
CID 18427254
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
decylperoxyperoxy hydrogen carbonate
CID 22639367
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The IUPAC name of octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate (CID 118194880) is octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate.
What is the SMILES notation for octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The canonical SMILES for octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOOOOOOOOOOOOOOOOOS(C)(=O)=O.
What is the InChIKey of octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
The InChIKey is PLGDXYRNUWPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H120O26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86(2,60)61/h3-59H2,1-2H3.
What are the key properties of octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate?
octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate has a molecular weight of 1277.65 g/mol, XLogP of 20.25, 81 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate is sourced from PubChem (CID 118194880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).