[(2E,4Z)-6-acetyloxy-2-(acetyloxymethyl)hexa-2,4-dienyl] benzoate
PubChem CID: 132579550
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| Compound Synonyms | CHEMBL4565329 |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E,4Z)-6-acetyloxy-2-(acetyloxymethyl)hexa-2,4-dienyl] benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLZIKASVIYLNEB-VZNCOVNJSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -2.606 |
| Rotatable Bond Count | 11.0 |
| Logd | -0.055 |
| Compound Name | [(2E,4Z)-6-acetyloxy-2-(acetyloxymethyl)hexa-2,4-dienyl] benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.9723824000000003 |
| Inchi | InChI=1S/C18H20O6/c1-14(19)22-11-7-6-8-16(12-23-15(2)20)13-24-18(21)17-9-4-3-5-10-17/h3-10H,11-13H2,1-2H3/b7-6-,16-8+ |
| Smiles | CC(=O)OC/C=C\C=C(/COC(=O)C)\COC(=O)C1=CC=CC=C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients