Back to Search
Dipropyl Peroxydicarbonate
CAS: 16066-38-9 | C8H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16066-38-9
Molecular Formula:
C8H14O6
Molecular Mass:
206.19 g/mol
Names and Synonyms:
Dipropyl Peroxydicarbonate
Peroxydicarbonic acid, C,C′-dipropyl ester
Peroxydicarbonic acid, dipropyl ester
Dipropyl peroxydicarbonate
Lupersol 221
Di-n-propyl peroxydicarbonate
Peroyl NPP
Luperox 221
NPP 50
Identifiers:
SMILES:
CCCOC(=O)OOC(=O)OCCC
InChI:
InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.19 g/mol | CAS Common Chemistry |
| 206.19399999999993 g/mol | RDKit | |
| 206.079038168 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dipropyl_peroxydicarbonate | CAS Common Chemistry |
| Canonical SMILES | O=C(OOC(=O)OCCC)OCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YPVDWEHVCUBACK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Di-n-propyl peroxydicarbonate | CAS Common Chemistry |
| Dipropyl peroxydicarbonate | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 2.0278 | RDKit |
| Molar Refractivity | 45.44800000000003 | RDKit |
