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(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 Weight:
129.159 g/mol
Names and Synonyms:
(R)-4-Isopropyl-2-Oxazolidinone
(4R)-4-Isopropyloxazolidin-2-one
(4R)-4-Isopropyl-1,3-oxazolidin-2-one
(4R)-4-Isopropyl-2-oxazolidinone
(4R)-(+)-4-Isopropyl-2-oxazolidone
(R)-4-Isopropyl-2-oxazolidinone
(4R)-4-(1-Methylethyl)-2-oxazolidinone
2-Oxazolidinone, 4-(1-methylethyl)-, (R)-
2-Oxazolidinone, 4-(1-methylethyl)-, (4R)-
(4R)-4-Propan-2-yl-1,3-oxazolidin-2-one
(R)-(+)-4-Isopropyl-2-oxazolidinone
(4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one
(R)-4-Isopropyloxazolidin-2-one
Identifiers:
SMILES:
CC(C)[C@@H]1COC(O)=N1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 129.159 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 129.078978592 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 41.82 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 0.9552 | RDKit |
molecular_mass | 129.16 g/mol | Legacy Database |
cas-canonical-smile | O=C1OCC(N1)C(C)C None | Legacy Database |
cas-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 None | Legacy Database |
cas-inchi-key | InChIKey=YBUPWRYTXGAWJX-YFKPBYRVSA-N None | Legacy Database |
cas-melting-point | 70-72 °C None | Legacy Database |
cas-name | (R)-4-Isopropyl-2-oxazolidinone None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 34.64179999999999 | RDKit |