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Molecule
(+)-Benzyl Glycidyl Ether
CAS: 16495-13-9 · C10H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16495-13-9
- Molecular Formula
- C10H12O2
- Molecular Mass
- 164.20 g/mol
Identifiers
CAS Registry Number
16495-13-9
SMILES
c1ccc(COC[C@@H]2CO2)cc1
InChI Key
QNYBOILAKBSWFG-SNVBAGLBSA-N
InChI
InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1
Names and Synonyms
- (+)-Benzyl Glycidyl Ether Common Name
- Oxirane, 2-[(phenylmethoxy)methyl]-, (2S)- Synonym
- Propane, 1-(benzyloxy)-2,3-epoxy-, (S)- Synonym
- Oxirane, [(phenylmethoxy)methyl]-, (S)- Synonym
- Oxirane, [(phenylmethoxy)methyl]-, (2S)- Synonym
- (2S)-2-[(Phenylmethoxy)methyl]oxirane Synonym
- (+)-Benzyl glycidyl ether Synonym
- (+)-2-(Benzyloxymethyl)oxirane Synonym
- (S)-O-Benzylglycidol Synonym
- (S)-(Benzyloxymethyl)oxirane Synonym
- (S)-Benzylglycidol Synonym
- Benzyl (S)-glycidyl ether Synonym
- (S)-Glycidyl benzyl ether Synonym
- (S)-2-(Benzyloxymethyl)oxirane Synonym
- (2S)-2-[(Benzyloxy)methyl]oxirane Synonym
- (+)-Glycidyl benzyl ether Synonym
- (S)-(+)-Benzyl glycidyl ether Synonym
- (2S)-2-[(Benzyloxy)methyl]oxirane Synonym
- (2S)-2-(Phenylmethoxymethyl)oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.204 g/mol | RDKit | |
| Canonical SMILES | O(CC=1C=CC=CC1)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QNYBOILAKBSWFG-SNVBAGLBSA-N | CAS Common Chemistry |
| Name | (+)-Benzyl glycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| 21.76 Ų | RDKit | |
| LogP | 1.6019999999999999 | RDKit |
| 1.602 | RDKit | |
| Molar Refractivity | 45.83800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 164.083729624 g/mol | RDKit |
| Boiling Point | 120 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 164.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O2.
