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Molecule
Di-Sec-Butyl Peroxydicarbonate
CAS: 19910-65-7 · C10H18O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19910-65-7
- Molecular Formula
- C10H18O6
- Molecular Mass
- 234.25 g/mol
Identifiers
CAS Registry Number
19910-65-7
SMILES
CCC(C)OC(=O)OOC(=O)OC(C)CC
InChI Key
NSGQRLUGQNBHLD-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
Names and Synonyms
- Di-Sec-Butyl Peroxydicarbonate Common Name
- Peroxydicarbonic acid, C,C′-bis(1-methylpropyl) ester Synonym
- Peroxydicarbonic acid, di-sec-butyl ester Synonym
- Peroxydicarbonic acid, bis(1-methylpropyl) ester Synonym
- Di-sec-butyl perdicarbonate Synonym
- Di-sec-butyl peroxydicarbonate Synonym
- Lupersol 225 Synonym
- Trigonox SBP Synonym
- Lupersol 225M30 Synonym
- Luperox 225M50 Synonym
- Peroyl SBP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.25 g/mol | CAS Common Chemistry |
| 234.24799999999996 g/mol | RDKit | |
| 234.248 g/mol | RDKit | |
| Canonical SMILES | O=C(OOC(=O)OC(C)CC)OC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NSGQRLUGQNBHLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Di-sec-butyl peroxydicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 2.804800000000001 | RDKit |
| 2.8048 | RDKit | |
| Molar Refractivity | 54.63800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 234.110338296 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 234.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O6.
