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Molecule
Diisopropyl Peroxydicarbonate
CAS: 105-64-6 · C8H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 105-64-6
- Molecular Formula
- C8H14O6
- Molecular Mass
- 206.19 g/mol
Identifiers
CAS Registry Number
105-64-6
SMILES
CC(C)OC(=O)OOC(=O)OC(C)C
InChI Key
BWJUFXUULUEGMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3
Names and Synonyms
- Diisopropyl Peroxydicarbonate Common Name
- Peroxydicarbonic acid, C,C′-bis(1-methylethyl) ester Synonym
- Peroxydicarbonic acid, diisopropyl ester Synonym
- Peroxydicarbonic acid, bis(1-methylethyl) ester Synonym
- Diisopropyl perdicarbonate Synonym
- Diisopropyl peroxydicarbonate Synonym
- Isopropyl peroxydicarbonate Synonym
- Diisopropyl peroxydiformate Synonym
- Luperox IPP Synonym
- Di-iso-propyl peroxydicarbonate Synonym
- Peroyl IPP Synonym
- IPP Synonym
- Diisopropyl percarbonate Synonym
- Perkadox IPP Synonym
- Bisisopropyl peroxydicarbonate Synonym
- Kayacarbon I 20 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.19 g/mol | CAS Common Chemistry |
| 206.194 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.080 g/cm3 @ 15.5 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OOC(=O)OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BWJUFXUULUEGMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8-10 °C | CAS Common Chemistry |
| Name | Diisopropyl peroxydicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 2.0246 | RDKit |
| Molar Refractivity | 45.40400000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 206.079038168 g/mol | RDKit |
| Boiling Point | 47 °C @ 100 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 206.19 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O6.
