Back to Search
Molecule
(R)-4-Isopropyl-2-Oxazolidinone
CAS: 95530-58-8 · C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 95530-58-8
- Molecular Formula
- C6H11NO2
- Molecular Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
95530-58-8
SMILES
CC(C)[C@@H]1COC(O)=N1
InChI Key
YBUPWRYTXGAWJX-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
Names and Synonyms
- (R)-4-Isopropyl-2-Oxazolidinone Common Name
- (R)-4-Isopropyloxazolidin-2-one Synonym
- (4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one Synonym
- (R)-(+)-4-Isopropyl-2-oxazolidinone Synonym
- (4R)-4-Propan-2-yl-1,3-oxazolidin-2-one Synonym
- 2-Oxazolidinone, 4-(1-methylethyl)-, (4R)- Synonym
- 2-Oxazolidinone, 4-(1-methylethyl)-, (R)- Synonym
- (4R)-4-(1-Methylethyl)-2-oxazolidinone Synonym
- (R)-4-Isopropyl-2-oxazolidinone Synonym
- (4R)-(+)-4-Isopropyl-2-oxazolidone Synonym
- (4R)-4-Isopropyl-2-oxazolidinone Synonym
- (4R)-4-Isopropyl-1,3-oxazolidin-2-one Synonym
- (4R)-4-Isopropyloxazolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.159 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC(N1)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YBUPWRYTXGAWJX-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 70-72 °C | CAS Common Chemistry |
| Name | (R)-4-Isopropyl-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 0.9552 | RDKit |
| Molar Refractivity | 34.64179999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 129.078978592 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
Convert
Quick conversion
MW = 129.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
