Back to Search
Molecule
Di-Tert-Butyl Dicarbonate
CAS: 24424-99-5 · C10H18O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24424-99-5
- Molecular Formula
- C10H18O5
- Molecular Mass
- 218.25 g/mol
Identifiers
CAS Registry Number
24424-99-5
SMILES
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
InChI Key
DYHSDKLCOJIUFX-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
Names and Synonyms
- Di-Tert-Butyl Dicarbonate Synonym
- Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester Synonym
- Formic acid, oxydi-, di-tert-butyl ester Synonym
- Dicarbonic acid, bis(1,1-dimethylethyl) ester Synonym
- Pyrocarbonic acid di-tert-butyl ester Synonym
- Di-tert-butyl pyrocarbonate Synonym
- Di-tert-butyl dicarbonate Synonym
- Bis(1,1-dimethylethyl) dicarbonate Synonym
- Di-tert-butyl oxydiformate Synonym
- BOC-anhydride Synonym
- (Boc)2O Synonym
- tert-Butyl dicarbonate Synonym
- tert-Butoxycarbonyl anhydride Synonym
- Bis(tert-butyl) dicarbonate Synonym
- Bis(tert-butoxycarbonyl) ether Synonym
- tert-Butoxycarbonyl tert-butyl carbonate Synonym
- di-tert-butyl dicarbonate Synonym
- tert-Butoxycarboxylic anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.25 g/mol | CAS Common Chemistry |
| 218.24899999999997 g/mol | RDKit | |
| 218.249 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Di-tert-butyl_dicarbonate | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(=O)OC(C)(C)C)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DYHSDKLCOJIUFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Di-tert-butyl dicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.83 Ų | RDKit |
| LogP | 2.8732000000000015 | RDKit |
| 2.8732 | RDKit | |
| Molar Refractivity | 53.55300000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 218.115423676 g/mol | RDKit |
| Boiling Point | 64-67 °C @ 1 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 218.25 g/mol. Edit any field — others recompute live.
