2-(trioxidanyl)ethanol

C2H6O4 — CID 123836942

IUPAC2-(trioxidanyl)ethanol
SMILESOCCOOO
InChIInChI=1S/C2H6O4/c3-1-2-5-6-4/h3-4H,1-2H2
InChIKeyZDRAWJLUDOEUHH-UHFFFAOYSA-N
MW94.07 g/mol
LogP-0.60
Rot. Bonds3

About 2-(trioxidanyl)ethanol

2-(trioxidanyl)ethanol (PubChem CID 123836942) has the molecular formula C2H6O4 and a molecular weight of 94.07 g/mol. Its IUPAC name is 2-(trioxidanyl)ethanol.

Molecular Properties

Compound Name2-(trioxidanyl)ethanol
PubChem CID123836942
Molecular FormulaC2H6O4
Molecular Weight94.07 g/mol
Exact Mass94.03
IUPAC Name2-(trioxidanyl)ethanol
SMILESOCCOOO
InChIInChI=1S/C2H6O4/c3-1-2-5-6-4/h3-4H,1-2H2
InChIKeyZDRAWJLUDOEUHH-UHFFFAOYSA-N
XLogP-0.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

8-(trioxidanyl)octan-1-ol
CID 87737807
sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
1,9-bis(trioxidanyl)nonane
CID 175757644
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
calcium;hydride;2-hydroperoxyethanol
CID 174969013
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[4-(2-hydroxyethylperoxy)butoxy]ethanol
CID 174979631
2-prop-2-enylperoxyethanol
CID 59128215
butan-1-ol;2-(2-hydroxyethylperoxy)ethanol
CID 174670759

Frequently Asked Questions

What is the IUPAC name of 2-(trioxidanyl)ethanol?
The IUPAC name of 2-(trioxidanyl)ethanol (CID 123836942) is 2-(trioxidanyl)ethanol.
What is the SMILES notation for 2-(trioxidanyl)ethanol?
The canonical SMILES for 2-(trioxidanyl)ethanol is OCCOOO.
What is the InChIKey of 2-(trioxidanyl)ethanol?
The InChIKey is ZDRAWJLUDOEUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4/c3-1-2-5-6-4/h3-4H,1-2H2.
What are the key properties of 2-(trioxidanyl)ethanol?
2-(trioxidanyl)ethanol has a molecular weight of 94.07 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trioxidanyl)ethanol is sourced from PubChem (CID 123836942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).