(2R,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
PubChem CID: 162903140
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C10H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IRUIGQKPFNFHOD-IFWDQZPZSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.737 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.494 |
| Compound Name | (2R,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 186.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -0.8348561999999997 |
| Inchi | InChI=1S/C10H18O3/c1-9(5-7-11)4-3-6-10(2,13)8-12/h3,5-6,11-13H,4,7-8H2,1-2H3/b6-3+,9-5+/t10-/m1/s1 |
| Smiles | C/C(=C\CO)/C/C=C/[C@](C)(CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dovyalis Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Jasonia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Nephelium Mutabile (Plant) Rel Props:Source_db:cmaup_ingredients