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(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
Names and Synonyms:
(2S)-2-[(Triphenylmethoxy)Methyl]Oxirane
Oxirane, 2-[(triphenylmethoxy)methyl]-, (2S)-
Oxirane, [(triphenylmethoxy)methyl]-, (S)-
Oxirane, [(triphenylmethoxy)methyl]-, (2S)-
(2S)-2-[(Triphenylmethoxy)methyl]oxirane
(S)-O-Tritylglycidol
Trityl (S)-glycidyl ether
(S)-(-)-Glycidyl trityl ether
(S)-Trityloxymethyloxirane
(S)-2-[(Trityloxy)methyl]oxirane
(R)-Glycidol trityl ether
(S)-(-)-Glycidyl triphenylmethyl ether
(2S)-2-(Trityloxymethyl)oxirane
Identifiers:
SMILES:
c1ccc(C(OC[C@@H]2CO2)(c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
94-96 °C @ Solvent: Methanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.40 g/mol | CAS Common Chemistry |
| 316.40000000000003 g/mol | RDKit | |
| 316.14632988 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 |
| LogP | 4.393900000000004 | RDKit |
| Molar Refractivity | 94.90000000000005 | RDKit |
