(E)-1-methoxyicos-4-en-3-one
PubChem CID: 15458653
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-methoxyicos-4-en-3-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C21H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTSWKGVXNYKHFW-ISLYRVAYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -5.871 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.556 |
| Compound Name | (E)-1-methoxyicos-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 324.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.723103799999999 |
| Inchi | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)19-20-23-2/h17-18H,3-16,19-20H2,1-2H3/b18-17+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C(=O)CCOC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Australis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andromeda Polifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Argyrochosma Pilifera (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Genista Lydia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Gymnopetalum Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pteris Bella (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Scapania Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trichilia Heudelotii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Vincetoxicum Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients