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Molecule
(R)-Garner Aldehyde
CAS: 95715-87-0 · C11H19NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 95715-87-0
- Molecular Formula
- C11H19NO4
- Molecular Mass
- 229.28 g/mol
Identifiers
CAS Registry Number
95715-87-0
SMILES
CC(C)(C)OC(=O)N1[C@@H](C=O)COC1(C)C
InChI Key
PNJXYVJNOCLJLJ-QMMMGPOBSA-N
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1
Names and Synonyms
- (R)-Garner Aldehyde Common Name
- 3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R)- Synonym
- 3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (R)- Synonym
- 1,1-Dimethylethyl (R)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate Synonym
- (R)-Garner aldehyde Synonym
- tert-Butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- ent-Garner's aldehyde Synonym
- tert-Butyl (4R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- (R)-3-tert-Butoxycarbonyl-2,2-dimethyl-4-formyloxazolidine Synonym
- (R)-2,2-Dimethyl-3-tert-butoxycarbonyl-1,3-oxazolidine-4-carboxaldehyde Synonym
- (R)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester Synonym
- (4R)-4-Formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid tert-butyl ester Synonym
- tert-Butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Synonym
- tert-Butyl (4R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- tert-Butyl (R)-(+)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- (R)-Garner's aldehyde Synonym
- tert-Butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- (R)-(+)-3-tert-Butoxycarbonyl-2,2-dimethyloxazolidine-4-carboxaldehyde Synonym
- (R)-tert-Butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- (R)-tert-Butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate Synonym
- (R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.28 g/mol | CAS Common Chemistry |
| 229.27599999999995 g/mol | RDKit | |
| 229.276 g/mol | RDKit | |
| Canonical SMILES | O=CC1N(C(=O)OC(C)(C)C)C(OC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PNJXYVJNOCLJLJ-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | (R)-Garner aldehyde | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.84 Ų | RDKit |
| 55.61 Ų | chempirical lib | |
| LogP | 1.5573 | RDKit |
| Molar Refractivity | 57.95600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 229.131408088 g/mol | RDKit |
| Boiling Point | 83-88 °C @ 1.0-1.4 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.
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MW = 229.28 g/mol. Edit any field — others recompute live.
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