(Z)-3-octen-2-one
PubChem CID: 6429262
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-3-octen-2-one, DTXSID201017543, 51193-77-2, (Z)-3-Octen-2-on, (3Z)-3-octen-2-one, SCHEMBL5184171, DTXCID601018448, DB-235068 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-oct-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C8H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCFOBLITZWHNNC-SREVYHEPSA-N |
| Fcsp3 | 0.625 |
| Logs | -1.846 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.038 |
| Compound Name | (Z)-3-octen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8011338 |
| Inchi | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6- |
| Smiles | CCCC/C=C\C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients