(s)-(+)-2,6-Dimethyl-3,7-octadiene-2,6-diol
PubChem CID: 71354347
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (s)-(+)-2,6-dimethyl-3,7-octadiene-2,6-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-2,6-dimethylocta-3,7-diene-2,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QEOHJVNDENHRCH-SNVBAGLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.617 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.24 |
| Compound Name | (s)-(+)-2,6-Dimethyl-3,7-octadiene-2,6-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.3182623999999998 |
| Inchi | InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/t10-/m1/s1 |
| Smiles | C[C@](CC=CC(C)(C)O)(C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients