acetylperoxy ethaneperoxoate

C4H6O6 — CID 18755730

IUPACacetylperoxy ethaneperoxoate
SMILESCC(=O)OOOOC(C)=O
InChIInChI=1S/C4H6O6/c1-3(5)7-9-10-8-4(2)6/h1-2H3
InChIKeyKQLGSULCRDGKRM-UHFFFAOYSA-N
MW150.09 g/mol
LogP-0.11
Rot. Bonds3

About acetylperoxy ethaneperoxoate

acetylperoxy ethaneperoxoate (PubChem CID 18755730) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is acetylperoxy ethaneperoxoate.

Molecular Properties

Compound Nameacetylperoxy ethaneperoxoate
PubChem CID18755730
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Nameacetylperoxy ethaneperoxoate
SMILESCC(=O)OOOOC(C)=O
InChIInChI=1S/C4H6O6/c1-3(5)7-9-10-8-4(2)6/h1-2H3
InChIKeyKQLGSULCRDGKRM-UHFFFAOYSA-N
XLogP-0.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze acetylperoxy 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 acetylperoxy ethaneperoxoate?
The IUPAC name of acetylperoxy ethaneperoxoate (CID 18755730) is acetylperoxy ethaneperoxoate.
What is the SMILES notation for acetylperoxy ethaneperoxoate?
The canonical SMILES for acetylperoxy ethaneperoxoate is CC(=O)OOOOC(C)=O.
What is the InChIKey of acetylperoxy ethaneperoxoate?
The InChIKey is KQLGSULCRDGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6/c1-3(5)7-9-10-8-4(2)6/h1-2H3.
What are the key properties of acetylperoxy ethaneperoxoate?
acetylperoxy ethaneperoxoate has a molecular weight of 150.09 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetylperoxy ethaneperoxoate is sourced from PubChem (CID 18755730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).