Dodecenol
PubChem CID: 6443191
Connections displayed (default: 10).
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| Compound Synonyms | Dodecenol, 58877-59-1, 1-dodecenol, (E)-dodec-1-en-1-ol, SCHEMBL131306, DTXSID001020904, Q67879853 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dodec-1-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C12H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQKHFONAFZDDKV-VAWYXSNFSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -4.024 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.521 |
| Compound Name | Dodecenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.2192026 |
| Inchi | InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11-13H,2-10H2,1H3/b12-11+ |
| Smiles | CCCCCCCCCC/C=C/O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Stellera Chamaejasme (Plant) Rel Props:Source_db:cmaup_ingredients