2-nonylperoxy-2-oxoacetic acid

C11H20O5 — CID 175494267

IUPAC2-nonylperoxy-2-oxoacetic acid
SMILESCCCCCCCCCOOC(=O)C(=O)O
InChIInChI=1S/C11H20O5/c1-2-3-4-5-6-7-8-9-15-16-11(14)10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyAQZWSVJPPXAZBE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.30
Rot. Bonds9

About 2-nonylperoxy-2-oxoacetic acid

2-nonylperoxy-2-oxoacetic acid (PubChem CID 175494267) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-nonylperoxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-nonylperoxy-2-oxoacetic acid
PubChem CID175494267
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-nonylperoxy-2-oxoacetic acid
SMILESCCCCCCCCCOOC(=O)C(=O)O
InChIInChI=1S/C11H20O5/c1-2-3-4-5-6-7-8-9-15-16-11(14)10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyAQZWSVJPPXAZBE-UHFFFAOYSA-N
XLogP2.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-nonylperoxy-2-oxoacetic 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

hexyl propaneperoxoate
CID 21270826
heptadecyl carbamoperoxoate
CID 90932133
octadecoxy carbonochloridate
CID 155797318
octadecyl octadecaneperoxoate
CID 139705570
2-tert-butyl-3-pentylperoxybut-2-enedioic acid
CID 173144601
octoxyperoxy hydrogen carbonate
CID 23448449
4-oxo-4-pentylperoxybutanoic acid
CID 91029083
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
decyl prop-2-eneperoxoate
CID 151851991
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367

Frequently Asked Questions

What is the IUPAC name of 2-nonylperoxy-2-oxoacetic acid?
The IUPAC name of 2-nonylperoxy-2-oxoacetic acid (CID 175494267) is 2-nonylperoxy-2-oxoacetic acid.
What is the SMILES notation for 2-nonylperoxy-2-oxoacetic acid?
The canonical SMILES for 2-nonylperoxy-2-oxoacetic acid is CCCCCCCCCOOC(=O)C(=O)O.
What is the InChIKey of 2-nonylperoxy-2-oxoacetic acid?
The InChIKey is AQZWSVJPPXAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-2-3-4-5-6-7-8-9-15-16-11(14)10(12)13/h2-9H2,1H3,(H,12,13).
What are the key properties of 2-nonylperoxy-2-oxoacetic acid?
2-nonylperoxy-2-oxoacetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylperoxy-2-oxoacetic acid is sourced from PubChem (CID 175494267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).