2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid

C9H14O10 — CID 20764466

IUPAC2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid
SMILESO=C(O)COOCCOCOCC(=O)OCC(=O)O
InChIInChI=1S/C9H14O10/c10-7(11)3-17-9(14)5-16-6-15-1-2-18-19-4-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyGXLRGJDKVUSLFL-UHFFFAOYSA-N
MW282.20 g/mol
LogP-1.36
Rot. Bonds12

About 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid

2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid (PubChem CID 20764466) has the molecular formula C9H14O10 and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid
PubChem CID20764466
Molecular FormulaC9H14O10
Molecular Weight282.20 g/mol
Exact Mass282.06
IUPAC Name2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid
SMILESO=C(O)COOCCOCOCC(=O)OCC(=O)O
InChIInChI=1S/C9H14O10/c10-7(11)3-17-9(14)5-16-6-15-1-2-18-19-4-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyGXLRGJDKVUSLFL-UHFFFAOYSA-N
XLogP-1.36
TPSA137.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid?
The IUPAC name of 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid (CID 20764466) is 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid?
The canonical SMILES for 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid is O=C(O)COOCCOCOCC(=O)OCC(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid?
The InChIKey is GXLRGJDKVUSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O10/c10-7(11)3-17-9(14)5-16-6-15-1-2-18-19-4-8(12)13/h1-6H2,(H,10,11)(H,12,13).
What are the key properties of 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid?
2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid has a molecular weight of 282.20 g/mol, XLogP of -1.36, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid is sourced from PubChem (CID 20764466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).