5-ethoxy-2-hydroxy-3-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID: 101393631
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 63.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 555.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethoxy-2-hydroxy-3-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C23H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQDOWDWMMZKLQR-FPLPWBNLSA-N |
| Fcsp3 | 0.6521739130434783 |
| Logs | -3.778 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.246 |
| Compound Name | 5-ethoxy-2-hydroxy-3-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 376.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.8087798 |
| Inchi | InChI=1S/C23H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h7-8,18,25H,3-6,9-17H2,1-2H3/b8-7- |
| Smiles | CCCC/C=C\CCCCCCCCCC1=C(C(=O)C=C(C1=O)OCC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients