Dicetyl peroxydicarbonate

CAS 26322-14-5  ·  C34H66O6  ·  MW 570.9 g/mol

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3D model Dicetyl peroxydicarbonate, CAS 26322-14-5, molecular formula C34H66O6, molar mass 570.9 g/mol
About Dicetyl peroxydicarbonate

Dicetyl peroxydicarbonate is a chemical compound registered under number CAS 26322-14-5, with the molecular formula C34H66O6, and a molar mass of 570.9 g/mol.

The molecule contains 106 atoms connected by 105 chemical bonds. The full systematic IUPAC name of this compound is hexadecoxycarbonyloxy hexadecyl carbonate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 16.5 (positive value, a lipophilic compound), polar surface area PSA = 71.1 Ų, 0 donors and 6 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC34H66O6
Molar mass570.9 g/mol
IUPAChexadecoxycarbonyloxy hexadecyl carbonate
SMILESCCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC
InChIKeyQWVBGCWRHHXMRM-UHFFFAOYSA-N
logP (XLogP3)16.5
PSA71.1 Ų
HBD / HBA0 / 6
PubChem CIDCID 62810 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H242 — Heating may cause a fire

Scientific literature

Brak articles naukowych dla CAS 26322-14-5 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Dicetyl peroxydicarbonate · 26322-14-5 · Perkadox 24W40 · Lupersol 216 · Dihexadecyl peroxydicarbonate · DIHEXADECYL PEROXODICARBONATE · Peroxydicarbonic acid, dihexadecyl ester · XE3V3NKT2E · Peroxydicarbonic acid, C,C'-dihexadecyl ester · dicetyl dicarbonateperoxide · RefChem:132999 · DTXCID8030500 · 247-611-0 · hexadecoxycarbonyloxy hexadecyl carbonate · dicetylperoxydicarbonate
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/62810
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Dicetyl peroxydicarbonate (CAS 26322-14-5), C34H66O6 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG-STL-26322-14-5-ENGRAVED · 1,180,032 △ · 56 MB · SHA-256 a3db1f3d921ce4d8

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Dicetyl peroxydicarbonate (CAS 26322-14-5), C34H66O6 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-26322-14-5-NORMAL · 44,192 △ · 2 MB · SHA-256 28e632a4a3d7881f

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Model
Dicetyl peroxydicarbonate · 26322-14-5
InChIKey
QWVBGCWRHHXMRM-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Dicetyl peroxydicarbonate (CAS 26322-14-5)
License & provenance record
Dicetyl peroxydicarbonate (CAS 26322-14-5) →
MolGod molecule record
Dicetyl peroxydicarbonate →
Source data
PubChem CID 62810 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
28e632a4a3d7881f4a32e9eb8bda1e23d9169eabf211cabaa8073228e8320d95
MD5 (STL)
d591544a7bb68b547c43dbdf4658beba
Model identifier
MG-STL-26322-14-5
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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