Di-tert-butyl dicarbonate
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CAS Number 24424-99-5
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Catalog Number io-406840
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Molecular Weight 218.2500
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SMILES CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
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Tert-butoxycarbonyl anhydride is an acyclic carboxylic anhydride. It is functionally related to a dicarbonic acid.
| 1 | Di-tert-butyl dicarbonate |
| 2 | BOC anhydride |
| 3 | Bis(tert-butoxycarbonyl)oxide |
| 4 | Di-tert-butyldicarbonate |
| 5 | tert-Butoxycarbonyl anhydride |
| Molecular Formula | C10H18O5 |
|---|---|
| Canonical SMILES | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C |
| Isomeric SMILES | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C |
| Molecular Weight | 218.2500 |
| InChIKey | DYHSDKLCOJIUFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3 |
| XLogP | 2.7000 |
| ExactMass | 218.1154 |
| MonoisotopicMass | 218.1154 |
| TPSA | 61.8000 |
| Complexity | 218.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 89062 |
| PatentFamilyCount | 26403 |
| LiteratureCount | 1048 |
