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Bis(4-Tert-Butylcyclohexyl) Peroxydicarbonate
CAS: 15520-11-3 | C22H38O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15520-11-3
Molecular Formula:
C22H38O6
Molecular Mass:
398.54 g/mol
Names and Synonyms:
Bis(4-Tert-Butylcyclohexyl) Peroxydicarbonate
Peroxydicarbonic acid, C,C′-bis[4-(1,1-dimethylethyl)cyclohexyl] ester
Peroxydicarbonic acid, bis(4-tert-butylcyclohexyl) ester
Peroxydicarbonic acid, bis[4-(1,1-dimethylethyl)cyclohexyl] ester
Cyclohexanol, 4-tert-butyl-, peroxydicarbonate (2:1)
Bis(4-tert-butylcyclohexyl) peroxydicarbonate
Di(4-tert-Butylcyclohexyl) peroxydicarbonate
Di-tert-Butyldicyclohexyl peroxydicarbonate
Perkadox 16
Bis(4-tert-butylcyclohexyl) percarbonate
Perkadox 16W40
Perkadox 16N
Perkadox PX 16
Peroyl TCP
Perkadox 16S
Espercarb 1043
P 16S
Di(4-tert-butylcyclohexyl) peroxidicarbonate
Perkadox 16-40PS
Di(4-t-butylcyclohexyl) peroxydicarbonate
Identifiers:
SMILES:
CC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)C)CC2)CC1
InChI:
InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
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 | 398.54 g/mol | CAS Common Chemistry |
| 398.5400000000003 g/mol | RDKit | |
| 398.266838936 g/mol | RDKit | |
| Canonical SMILES | O=C(OOC(=O)OC1CCC(CC1)C(C)(C)C)OC2CCC(CC2)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NOBYOEQUFMGXBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(4-tert-butylcyclohexyl) peroxydicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 28 | 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 | 6.417600000000007 | RDKit |
| Molar Refractivity | 105.53400000000009 | RDKit |
