Octenone
PubChem CID: 15475
Connections displayed (default: 10).
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| Compound Synonyms | Octenone, oct-3-en-2-one, DTXSID1061867, SCHEMBL230668, DB-043671, NS00021738 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C8H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCFOBLITZWHNNC-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.895 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.503 |
| Compound Name | Octenone |
| 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 |
| Smiles | CCCCC=CC(=O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all