(2E,6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dienal
PubChem CID: 12444394
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 25529-78-6, 9-(3-Furyl)-2,6-dimethyl-2,6-nonadienal |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IZOQNJDUSBFHLG-AANLELRNSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.115 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.494 |
| Compound Name | (2E,6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dienal |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3670496588235292 |
| Inchi | InChI=1S/C15H20O2/c1-13(5-3-7-14(2)11-16)6-4-8-15-9-10-17-12-15/h6-7,9-12H,3-5,8H2,1-2H3/b13-6+,14-7+ |
| Smiles | C/C(=C\CCC1=COC=C1)/CC/C=C(\C)/C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Torreya Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients