(E)-1-(3,4-dimethoxyphenyl)oct-4-en-3-one
PubChem CID: 11492650
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(3,4-dimethoxyphenyl)oct-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PULFPMORKMWNLW-VOTSOKGWSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.918 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.828 |
| Compound Name | (E)-1-(3,4-dimethoxyphenyl)oct-4-en-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 262.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1630480105263157 |
| Inchi | InChI=1S/C16H22O3/c1-4-5-6-7-14(17)10-8-13-9-11-15(18-2)16(12-13)19-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3/b7-6+ |
| Smiles | CCC/C=C/C(=O)CCC1=CC(=C(C=C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients