icosoxyperoxy hydrogen sulfate

C20H42O7S — CID 175785704

IUPACicosoxyperoxy hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCCCOOOOS(=O)(=O)O
InChIInChI=1S/C20H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-26-27-28(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKeyIGEZQXBWRKSWOI-UHFFFAOYSA-N
MW426.62 g/mol
LogP6.64
Rot. Bonds23

About icosoxyperoxy hydrogen sulfate

icosoxyperoxy hydrogen sulfate (PubChem CID 175785704) has the molecular formula C20H42O7S and a molecular weight of 426.62 g/mol. Its IUPAC name is icosoxyperoxy hydrogen sulfate.

Molecular Properties

Compound Nameicosoxyperoxy hydrogen sulfate
PubChem CID175785704
Molecular FormulaC20H42O7S
Molecular Weight426.62 g/mol
Exact Mass426.27
IUPAC Nameicosoxyperoxy hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCCCOOOOS(=O)(=O)O
InChIInChI=1S/C20H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-26-27-28(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKeyIGEZQXBWRKSWOI-UHFFFAOYSA-N
XLogP6.64
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.62
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
CID 118194880
1-butylperoxyperoxynonane
CID 90169675
1-propylperoxyperoxydodecane
CID 90108856
hexyl sulfooxy sulfate
CID 175322750
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
1-butoxyperoxynonane
CID 90110144
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
alumane;octadecyl hydrogen sulfate
CID 175420064

Frequently Asked Questions

What is the IUPAC name of icosoxyperoxy hydrogen sulfate?
The IUPAC name of icosoxyperoxy hydrogen sulfate (CID 175785704) is icosoxyperoxy hydrogen sulfate.
What is the SMILES notation for icosoxyperoxy hydrogen sulfate?
The canonical SMILES for icosoxyperoxy hydrogen sulfate is CCCCCCCCCCCCCCCCCCCCOOOOS(=O)(=O)O.
What is the InChIKey of icosoxyperoxy hydrogen sulfate?
The InChIKey is IGEZQXBWRKSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-26-27-28(21,22)23/h2-20H2,1H3,(H,21,22,23).
What are the key properties of icosoxyperoxy hydrogen sulfate?
icosoxyperoxy hydrogen sulfate has a molecular weight of 426.62 g/mol, XLogP of 6.64, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for icosoxyperoxy hydrogen sulfate is sourced from PubChem (CID 175785704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).