(oxiran-2-yl)methyl butanoate | SBID = 2664 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 38.8 | ||
| Ertl TPSA/Å2: | 38.83 | ||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | 0.64 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 117.4 | ||
| Sum Formula: | C7H12O3 | ||
| M / g/mol: | 144.17 | ||
| Complexity: | 122.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: (oxiran-2-yl)methyl butanoate
- Preferred Abbreviation: (R)-Glycidyl butyrate
- IUPAC Name: [(2R)-oxiran-2-yl]methyl butanoate
- CAS:
- CID: 2724536
- InChiKey: YLNSNVGRSIOCEU-ZCFIWIBFSA-N
- InChi: InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m1/s1
- CanoSmiles: CCCC(=O)OCC1CO1
- IsoSmiles: CCCC(=O)OC[C@H]1CO1
