(1S,4R,7R,8S,9S,10S)-1,3,3,7-tetramethyl-2-oxatricyclo[6.2.2.04,9]dodecan-10-ol
PubChem CID: 162911811
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,4R,7R,8S,9S,10S)-1,3,3,7-tetramethyl-2-oxatricyclo[6.2.2.04,9]dodecan-10-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEPZJUGXJVBWGQ-WZUGGRCDSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.207 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.762 |
| Compound Name | (1S,4R,7R,8S,9S,10S)-1,3,3,7-tetramethyl-2-oxatricyclo[6.2.2.04,9]dodecan-10-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1008002 |
| Inchi | InChI=1S/C15H26O2/c1-9-5-6-11-12-10(9)7-8-15(4,13(12)16)17-14(11,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@@]([C@H]3O)(OC2(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chiloscyphus Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conocarpus Erectus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fabiana Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Magnolia Fraseri (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Rubus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients