2-prop-2-enylperoxyacetic acid

C5H8O4 — CID 87501332

IUPAC2-prop-2-enylperoxyacetic acid
SMILESC=CCOOCC(=O)O
InChIInChI=1S/C5H8O4/c1-2-3-8-9-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKeyASEUFZFOSVRRPJ-UHFFFAOYSA-N
MW132.11 g/mol
LogP0.21
Rot. Bonds5

About 2-prop-2-enylperoxyacetic acid

2-prop-2-enylperoxyacetic acid (PubChem CID 87501332) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 2-prop-2-enylperoxyacetic acid.

Molecular Properties

Compound Name2-prop-2-enylperoxyacetic acid
PubChem CID87501332
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2-prop-2-enylperoxyacetic acid
SMILESC=CCOOCC(=O)O
InChIInChI=1S/C5H8O4/c1-2-3-8-9-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKeyASEUFZFOSVRRPJ-UHFFFAOYSA-N
XLogP0.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-prop-2-enylperoxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(carboxymethylperoxy)acetic acid;ethene
CID 118878426
2-prop-2-enylperoxybutanedioic acid
CID 87646093
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
prop-2-enylperoxymethyl prop-2-enoate
CID 23533185
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674
3-methyl-2-prop-2-enoxybutanoic acid
CID 43128752
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
2-[2-(1-hydroxyethyl)but-3-enoyloxy]acetic acid;3-prop-2-enoxyprop-1-ene
CID 174811941
2-prop-2-enylperoxyethanol
CID 59128215
2-prop-2-enylperoxybut-2-enedioic acid
CID 173197280
2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride
CID 174873237

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylperoxyacetic acid?
The IUPAC name of 2-prop-2-enylperoxyacetic acid (CID 87501332) is 2-prop-2-enylperoxyacetic acid.
What is the SMILES notation for 2-prop-2-enylperoxyacetic acid?
The canonical SMILES for 2-prop-2-enylperoxyacetic acid is C=CCOOCC(=O)O.
What is the InChIKey of 2-prop-2-enylperoxyacetic acid?
The InChIKey is ASEUFZFOSVRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-2-3-8-9-4-5(6)7/h2H,1,3-4H2,(H,6,7).
What are the key properties of 2-prop-2-enylperoxyacetic acid?
2-prop-2-enylperoxyacetic acid has a molecular weight of 132.11 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylperoxyacetic acid is sourced from PubChem (CID 87501332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).