hydroperoxymethoxyethane

C3H8O3 — CID 71351441

IUPAChydroperoxymethoxyethane
SMILESCCOCOO
InChIInChI=1S/C3H8O3/c1-2-5-3-6-4/h4H,2-3H2,1H3
InChIKeyNZBMKAZNWPZJND-UHFFFAOYSA-N
MW92.09 g/mol
LogP0.47
Rot. Bonds3

About hydroperoxymethoxyethane

hydroperoxymethoxyethane (PubChem CID 71351441) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is hydroperoxymethoxyethane.

Molecular Properties

Compound Namehydroperoxymethoxyethane
PubChem CID71351441
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Namehydroperoxymethoxyethane
SMILESCCOCOO
InChIInChI=1S/C3H8O3/c1-2-5-3-6-4/h4H,2-3H2,1H3
InChIKeyNZBMKAZNWPZJND-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of hydroperoxymethoxyethane?
The IUPAC name of hydroperoxymethoxyethane (CID 71351441) is hydroperoxymethoxyethane.
What is the SMILES notation for hydroperoxymethoxyethane?
The canonical SMILES for hydroperoxymethoxyethane is CCOCOO.
What is the InChIKey of hydroperoxymethoxyethane?
The InChIKey is NZBMKAZNWPZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c1-2-5-3-6-4/h4H,2-3H2,1H3.
What are the key properties of hydroperoxymethoxyethane?
hydroperoxymethoxyethane has a molecular weight of 92.09 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethoxyethane is sourced from PubChem (CID 71351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).