methylperoxyethane;sulfuric acid

C3H10O6S — CID 87935529

IUPACmethylperoxyethane;sulfuric acid
SMILESCCOOC.O=S(=O)(O)O
InChIInChI=1S/C3H8O2.H2O4S/c1-3-5-4-2;1-5(2,3)4/h3H2,1-2H3;(H2,1,2,3,4)
InChIKeyROQMTYJTUXYFJM-UHFFFAOYSA-N
MW174.17 g/mol
LogP-0.07
Rot. Bonds2

About methylperoxyethane;sulfuric acid

methylperoxyethane;sulfuric acid (PubChem CID 87935529) has the molecular formula C3H10O6S and a molecular weight of 174.17 g/mol. Its IUPAC name is methylperoxyethane;sulfuric acid.

Molecular Properties

Compound Namemethylperoxyethane;sulfuric acid
PubChem CID87935529
Molecular FormulaC3H10O6S
Molecular Weight174.17 g/mol
Exact Mass174.02
IUPAC Namemethylperoxyethane;sulfuric acid
SMILESCCOOC.O=S(=O)(O)O
InChIInChI=1S/C3H8O2.H2O4S/c1-3-5-4-2;1-5(2,3)4/h3H2,1-2H3;(H2,1,2,3,4)
InChIKeyROQMTYJTUXYFJM-UHFFFAOYSA-N
XLogP-0.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

Ethyl Sulfate
CID 6004
Sulfuric acid, ethyl methyl ester
CID 69945
Sulfuric acid, monopropyl ester
CID 70469
Ethoxy sulfuric acid
CID 18469854
Athylschwefelsauremonohydrat
CID 19910537
Ethoxysulfate
CID 53855190
Sulphuric acid ethanol
CID 73950302
Carbon monoethoxy sulfate
CID 87240100
Ethyl ethoxy sulfate
CID 88430276
Propyl dithionic acid
CID 132279280
Calcium ethyl hydrogen sulfate
CID 21115059
Magnesium ethyl hydrogen sulfate
CID 21116015

Frequently Asked Questions

What is the IUPAC name of methylperoxyethane;sulfuric acid?
The IUPAC name of methylperoxyethane;sulfuric acid (CID 87935529) is methylperoxyethane;sulfuric acid.
What is the SMILES notation for methylperoxyethane;sulfuric acid?
The canonical SMILES for methylperoxyethane;sulfuric acid is CCOOC.O=S(=O)(O)O.
What is the InChIKey of methylperoxyethane;sulfuric acid?
The InChIKey is ROQMTYJTUXYFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.H2O4S/c1-3-5-4-2;1-5(2,3)4/h3H2,1-2H3;(H2,1,2,3,4).
What are the key properties of methylperoxyethane;sulfuric acid?
methylperoxyethane;sulfuric acid has a molecular weight of 174.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyethane;sulfuric acid is sourced from PubChem (CID 87935529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).