[1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl] acetate
PubChem CID: 85651310
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DTUNXJRSMOTKGD-UHFFFAOYSA-N |
| Fcsp3 | 0.5789473684210527 |
| Rotatable Bond Count | 12.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | [1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.194 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl] acetate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.6372536000000006 |
| Inchi | InChI=1S/C19H28O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,17,22H,4-8,10,13H2,1-3H3 |
| Smiles | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OC(=O)C |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H28O5 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients