2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid

C8H14O5 — CID 23227587

IUPAC2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
SMILESCCCC(C)(C)OC(=O)C(=O)OO
InChIInChI=1S/C8H14O5/c1-4-5-8(2,3)12-6(9)7(10)13-11/h11H,4-5H2,1-3H3
InChIKeyUAFYYTCSUXXHRB-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.12
Rot. Bonds3

About 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid

2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid (PubChem CID 23227587) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid.

Molecular Properties

Compound Name2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
PubChem CID23227587
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
SMILESCCCC(C)(C)OC(=O)C(=O)OO
InChIInChI=1S/C8H14O5/c1-4-5-8(2,3)12-6(9)7(10)13-11/h11H,4-5H2,1-3H3
InChIKeyUAFYYTCSUXXHRB-UHFFFAOYSA-N
XLogP1.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid?
The IUPAC name of 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid (CID 23227587) is 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid.
What is the SMILES notation for 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid?
The canonical SMILES for 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid is CCCC(C)(C)OC(=O)C(=O)OO.
What is the InChIKey of 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid?
The InChIKey is UAFYYTCSUXXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-5-8(2,3)12-6(9)7(10)13-11/h11H,4-5H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid?
2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid has a molecular weight of 190.19 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid is sourced from PubChem (CID 23227587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).