[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate
PubChem CID: 5319394
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GZZZGYBTVVSDGQ-PRIXGWFASA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -5.403 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.059 |
| Compound Name | [(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3978385818181818 |
| Inchi | InChI=1S/C17H20O5/c1-5-12(2)17(19)21-10-6-7-14-8-9-15(22-13(3)18)16(11-14)20-4/h5-9,11H,10H2,1-4H3/b7-6+,12-5- |
| Smiles | C/C=C(/C)\C(=O)OC/C=C/C1=CC(=C(C=C1)OC(=O)C)OC |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients