ethylperoxymethanol

C3H8O3 — CID 22967409

IUPACethylperoxymethanol
SMILESCCOOCO
InChIInChI=1S/C3H8O3/c1-2-5-6-3-4/h4H,2-3H2,1H3
InChIKeyCTBBHSDXJANZAR-UHFFFAOYSA-N
MW92.09 g/mol
LogP-0.10
Rot. Bonds3

About ethylperoxymethanol

ethylperoxymethanol (PubChem CID 22967409) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is ethylperoxymethanol.

Molecular Properties

Compound Nameethylperoxymethanol
PubChem CID22967409
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Nameethylperoxymethanol
SMILESCCOOCO
InChIInChI=1S/C3H8O3/c1-2-5-6-3-4/h4H,2-3H2,1H3
InChIKeyCTBBHSDXJANZAR-UHFFFAOYSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,1-Ethanediol
CID 151211
1-Hydroperoxyethanol
CID 177067
Ethyldioxy, 1-hydroxy-
CID 176942
alpha-Hydroxyethyl hydrotrioxide
CID 12927033
1-Hydroperoxypropan-1-ol
CID 14819037
1-Hydroxyethanolate
CID 22137868
1,1'-Peroxydi(ethan-1-ol)
CID 54085263
Water ethanediol
CID 86643495
1-Hydroxyethoxy(oxo)oxidanium
CID 91367284
CID 101210284
CID 101210284
d4-Ethanediol
CID 129724956
1-Ethylperoxyethanol
CID 20568476

Frequently Asked Questions

What is the IUPAC name of ethylperoxymethanol?
The IUPAC name of ethylperoxymethanol (CID 22967409) is ethylperoxymethanol.
What is the SMILES notation for ethylperoxymethanol?
The canonical SMILES for ethylperoxymethanol is CCOOCO.
What is the InChIKey of ethylperoxymethanol?
The InChIKey is CTBBHSDXJANZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c1-2-5-6-3-4/h4H,2-3H2,1H3.
What are the key properties of ethylperoxymethanol?
ethylperoxymethanol has a molecular weight of 92.09 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxymethanol is sourced from PubChem (CID 22967409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).