[2-[4-Methyl-2-(2-Methylpropanoyloxy)Phenyl]Oxiran-2-Yl]Methyl 2-Methylbutanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1549418 | |
| PubChem: | 354159 | |
| IUPAC: | [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate | |
| Standard InChI: | InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3 | |
| Standard InChI Key: | DBEFONQGRSUFQO-UHFFFAOYSA-N | |
| SMILES: | CCC(C(=O)OCC1(CO1)c1ccc(cc1OC(=O)C(C)C)C)C | |
Molecular propeties
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| AlogP: | 3.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 334.18 | |
| Topological polar surface area: | 65.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.579 | |
| Number of carbons: | 19 | |