Bis(1-hydroxyheptyl)peroxide

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Basic information

CAS: 16128-22-6
Standard SMILES: OCCCCCCCOOCCCCCCCO
InChIKey: QLZINFDMOXMCCJ-UHFFFAOYSA-N
Molecular formula: C14H30O4
Average molar mass: 262.39 g/mol
Monoisotopic mass: 262.21440943

Overview

hydrolysis leads to 1-hydroxy-1-hydroperoxyheptane, an ozonation product; structure in first source

Names & identifiers

Preferred name: Bis(1-hydroxyheptyl)peroxide
IUPAC: 7-(7-hydroxyheptylperoxy)heptan-1-ol
English name: bis(1-hydroxyheptyl)peroxide
Molecular formula: C14H30O4
Molecular weight: 262.39

Names & synonyms

Bis(1-hydroxyheptyl)peroxide16128-22-6RefChem:120009bis-(hydroxyheptyl) peroxideSCHEMBL2251321-Heptanol, 1,1'-dioxybis-7,7'-Peroxydi(heptan-1-ol)DTXSID20936473

Database identifiers

CAS: 16128-22-6
PubChem CID: 85298
DTXSID: DTXSID20936473

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 15
Heavy atoms: 18
Formal charge: 0
Complexity: 126

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Compound notes

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