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Molecule
(+)-Propylene Oxide
CAS: 15448-47-2 · C3H6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15448-47-2
- Molecular Formula
- C3H6O
- Molecular Mass
- 58.08 g/mol
Identifiers
CAS Registry Number
15448-47-2
SMILES
C[C@@H]1CO1
InChI Key
GOOHAUXETOMSMM-GSVOUGTGSA-N
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
Names and Synonyms
- (+)-Propylene Oxide Synonym
- Oxirane, 2-methyl-, (2R)- Synonym
- Propylene oxide, (R)-(+)- Synonym
- Oxirane, methyl-, (R)- Synonym
- Oxirane, methyl-, (2R)- Synonym
- (2R)-2-Methyloxirane Synonym
- (+)-Propylene oxide Synonym
- d-Propylene oxide Synonym
- (R)-Propylene oxide Synonym
- (R)-(+)-Methyloxirane Synonym
- (+)-Methyloxirane Synonym
- (R)-Methyloxirane Synonym
- (R)-1,2-Epoxypropane Synonym
- (R)-(+)-1,2-Epoxypropane Synonym
- (+)-(R)-Propylene oxide Synonym
- (R)-(+)-Propylene oxide Synonym
- (R)-Propenoxide Synonym
- (R)-2-Methyloxirane Synonym
- (2R)-Methyloxirane Synonym
- (R)-(+)-1,2-Epoxypropane Synonym
- (R)-1,2-Epoxypropane Synonym
- (2R)-2-Methyloxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.171 g/cm3 @ 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 |
| LogP | 0.4051 | RDKit |
| Molar Refractivity | 15.414000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 58.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 58.08 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O.
