[4-[(2R)-2-methyloxiran-2-yl]-3-(2-methylpropanoyloxy)phenyl]methyl 2-methylpropanoate
PubChem CID: 162953457
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.099 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [4-[(2R)-2-methyloxiran-2-yl]-3-(2-methylpropanoyloxy)phenyl]methyl 2-methylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LVMMNKQZLWLOIL-SFHVURJKSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -5.006 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.008 |
| Compound Name | [4-[(2R)-2-methyloxiran-2-yl]-3-(2-methylpropanoyloxy)phenyl]methyl 2-methylpropanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 320.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4381304782608697 |
| Inchi | InChI=1S/C18H24O5/c1-11(2)16(19)21-9-13-6-7-14(18(5)10-22-18)15(8-13)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3/t18-/m0/s1 |
| Smiles | CC(C)C(=O)OCC1=CC(=C(C=C1)[C@@]2(CO2)C)OC(=O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients