Octadeca-9,12,15-trienal
PubChem CID: 33532
Connections displayed (default: 10).
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| Compound Synonyms | octadeca-9,12,15-trienal, CAA42313 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-9,12,15-trienal |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C18H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUCMDDWTBVMRTP-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -5.436 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.39 |
| Compound Name | Octadeca-9,12,15-trienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.6411093999999995 |
| Inchi | InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3 |
| Smiles | CCC=CCC=CCC=CCCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients