(1S,4S,5R,8S,9R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undecan-10-ol
PubChem CID: 162891417
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,4S,5R,8S,9R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undecan-10-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAAYSDYYZSDWOP-QZOBBIQNSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.878 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.569 |
| Compound Name | (1S,4S,5R,8S,9R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undecan-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 | -3.1293002 |
| Inchi | InChI=1S/C15H26O2/c1-9(2)15-8-5-10(3)11-6-7-14(4,17-15)13(16)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@]2([C@@H]3[C@H]1CC[C@@]([C@H]3O)(O2)C)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 Lupinus Pilosus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Magnolia Fraseri (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients