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(+)-Propylene Oxide
CAS: 15448-47-2 | C3H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15448-47-2
Molecular Formula:
C3H6O
Molecular Mass:
58.08 g/mol
Names and Synonyms:
(+)-Propylene Oxide
Oxirane, 2-methyl-, (2R)-
Propylene oxide, (R)-(+)-
Oxirane, methyl-, (R)-
Oxirane, methyl-, (2R)-
(2R)-2-Methyloxirane
(+)-Propylene oxide
d-Propylene oxide
(R)-Propylene oxide
(R)-(+)-Methyloxirane
(+)-Methyloxirane
(R)-Methyloxirane
(R)-1,2-Epoxypropane
(R)-(+)-1,2-Epoxypropane
(+)-(R)-Propylene oxide
(R)-(+)-Propylene oxide
(R)-Propenoxide
(R)-2-Methyloxirane
(2R)-Methyloxirane
(R)-(+)-1,2-Epoxypropane
(R)-1,2-Epoxypropane
(2R)-2-Methyloxirane
Identifiers:
SMILES:
C[C@@H]1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
Key Properties
Boiling Point
35 °C
CAS Common Chemistry
Density
1.17 g/cm³
CAS Common Chemistry
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 |
|---|
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| 58.041864812 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.171 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 35 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GOOHAUXETOMSMM-GSVOUGTGSA-N | CAS Common Chemistry |
| Name | (+)-Propylene oxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| 9.23 Ų | chempirical lib | |
| LogP | 0.4051 | RDKit |
| 0.88 | chempirical lib | |
| Molar Refractivity | 15.414000000000001 | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
Related Molecules
Other compounds with formula C3H6O
