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Molecule
(2S)-2-[(Triphenylmethoxy)Methyl]Oxirane
CAS: 129940-50-7 · C22H20O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 129940-50-7
- Molecular Formula
- C22H20O2
- Molecular Mass
- 316.40 g/mol
Identifiers
CAS Registry Number
129940-50-7
SMILES
c1ccc(C(OC[C@@H]2CO2)(c2ccccc2)c2ccccc2)cc1
InChI Key
XFSXUCMYFWZRAF-NRFANRHFSA-N
InChI
InChI=1S/C22H20O2/c1-4-10-18(11-5-1)22(24-17-21-16-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
Names and Synonyms
- (2S)-2-[(Triphenylmethoxy)Methyl]Oxirane Synonym
- Oxirane, 2-[(triphenylmethoxy)methyl]-, (2S)- Synonym
- Oxirane, [(triphenylmethoxy)methyl]-, (S)- Synonym
- Oxirane, [(triphenylmethoxy)methyl]-, (2S)- Synonym
- (2S)-2-[(Triphenylmethoxy)methyl]oxirane Synonym
- (S)-O-Tritylglycidol Synonym
- Trityl (S)-glycidyl ether Synonym
- (S)-(-)-Glycidyl trityl ether Synonym
- (S)-Trityloxymethyloxirane Synonym
- (S)-2-[(Trityloxy)methyl]oxirane Synonym
- (R)-Glycidol trityl ether Synonym
- (S)-(-)-Glycidyl triphenylmethyl ether Synonym
- (2S)-2-(Trityloxymethyl)oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.40 g/mol | CAS Common Chemistry |
| 316.40000000000003 g/mol | RDKit | |
| 316.4 g/mol | RDKit | |
| Canonical SMILES | O1CC1COC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C22H20O2/c1-4-10-18(11-5-1)22(24-17-21-16-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XFSXUCMYFWZRAF-NRFANRHFSA-N | CAS Common Chemistry |
| Melting Point | 94-96 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | (2S)-2-[(Triphenylmethoxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| 21.76 Ų | RDKit | |
| LogP | 4.393900000000004 | RDKit |
| 4.3939 | RDKit | |
| 4.05 | chempirical lib | |
| Molar Refractivity | 94.90000000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 316.14632988 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 316.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H20O2.
