3,5-Octadien-2-ol
PubChem CID: 5364580
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| Compound Synonyms | 3,5-Octadien-2-ol, OCTA-3,5-DIEN-2-OL, SCHEMBL3273792, RQQKJGCMOJSSOV-YTXTXJHMSA-N, (3E,5E)-3,5-Octadien-2-ol #, EN300-7631808 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-octa-3,5-dien-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C8H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQQKJGCMOJSSOV-YTXTXJHMSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.009 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.867 |
| Compound Name | 3,5-Octadien-2-ol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.6151337999999997 |
| Inchi | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+ |
| Smiles | CC/C=C/C=C/C(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients