methyl ethaneperoxoate

C3H6O3 — CID 14202767

IUPACmethyl ethaneperoxoate
SMILESCOOC(C)=O
InChIInChI=1S/C3H6O3/c1-3(4)6-5-2/h1-2H3
InChIKeyGNVILSSSAMKPLR-UHFFFAOYSA-N
MW90.08 g/mol
LogP0.11
Rot. Bonds1

About methyl ethaneperoxoate

methyl ethaneperoxoate (PubChem CID 14202767) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is methyl ethaneperoxoate.

Molecular Properties

Compound Namemethyl ethaneperoxoate
PubChem CID14202767
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Namemethyl ethaneperoxoate
SMILESCOOC(C)=O
InChIInChI=1S/C3H6O3/c1-3(4)6-5-2/h1-2H3
InChIKeyGNVILSSSAMKPLR-UHFFFAOYSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl ethaneperoxoate?
The IUPAC name of methyl ethaneperoxoate (CID 14202767) is methyl ethaneperoxoate.
What is the SMILES notation for methyl ethaneperoxoate?
The canonical SMILES for methyl ethaneperoxoate is COOC(C)=O.
What is the InChIKey of methyl ethaneperoxoate?
The InChIKey is GNVILSSSAMKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c1-3(4)6-5-2/h1-2H3.
What are the key properties of methyl ethaneperoxoate?
methyl ethaneperoxoate has a molecular weight of 90.08 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl ethaneperoxoate is sourced from PubChem (CID 14202767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).