acetyloxy ethaneperoxoate

C4H6O5 — CID 19362196

IUPACacetyloxy ethaneperoxoate
SMILESCC(=O)OOOC(C)=O
InChIInChI=1S/C4H6O5/c1-3(5)7-9-8-4(2)6/h1-2H3
InChIKeyMPRWIVBRDAXEAF-UHFFFAOYSA-N
MW134.09 g/mol
LogP-0.04
Rot. Bonds2

About acetyloxy ethaneperoxoate

acetyloxy ethaneperoxoate (PubChem CID 19362196) has the molecular formula C4H6O5 and a molecular weight of 134.09 g/mol. Its IUPAC name is acetyloxy ethaneperoxoate.

Molecular Properties

Compound Nameacetyloxy ethaneperoxoate
PubChem CID19362196
Molecular FormulaC4H6O5
Molecular Weight134.09 g/mol
Exact Mass134.02
IUPAC Nameacetyloxy ethaneperoxoate
SMILESCC(=O)OOOC(C)=O
InChIInChI=1S/C4H6O5/c1-3(5)7-9-8-4(2)6/h1-2H3
InChIKeyMPRWIVBRDAXEAF-UHFFFAOYSA-N
XLogP-0.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetyloxy ethaneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyloxy ethaneperoxoate?
The IUPAC name of acetyloxy ethaneperoxoate (CID 19362196) is acetyloxy ethaneperoxoate.
What is the SMILES notation for acetyloxy ethaneperoxoate?
The canonical SMILES for acetyloxy ethaneperoxoate is CC(=O)OOOC(C)=O.
What is the InChIKey of acetyloxy ethaneperoxoate?
The InChIKey is MPRWIVBRDAXEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5/c1-3(5)7-9-8-4(2)6/h1-2H3.
What are the key properties of acetyloxy ethaneperoxoate?
acetyloxy ethaneperoxoate has a molecular weight of 134.09 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy ethaneperoxoate is sourced from PubChem (CID 19362196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).