[4-[(1R)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] 2-methylpropanoate
PubChem CID: 37888484
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [4-[(1R)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] 2-methylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZEASYGWRLHADI-CYBMUJFWSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.418 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.841 |
| Compound Name | [4-[(1R)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] 2-methylpropanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 292.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.364480771428571 |
| Inchi | InChI=1S/C16H20O5/c1-6-13(20-11(4)17)12-7-8-14(15(9-12)19-5)21-16(18)10(2)3/h6-10,13H,1H2,2-5H3/t13-/m1/s1 |
| Smiles | CC(C)C(=O)OC1=C(C=C(C=C1)[C@@H](C=C)OC(=O)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coreopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polyscias Murrayi (Plant) Rel Props:Source_db:cmaup_ingredients