(1R,2S,3S,6S,8R,9S)-3,7,7,8-tetramethyltricyclo[6.2.1.02,6]undecan-9-ol
PubChem CID: 163049910
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2S,3S,6S,8R,9S)-3,7,7,8-tetramethyltricyclo[6.2.1.02,6]undecan-9-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJUSPHRLRVCESP-RQWGMIHLSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.125 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.811 |
| Compound Name | (1R,2S,3S,6S,8R,9S)-3,7,7,8-tetramethyltricyclo[6.2.1.02,6]undecan-9-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8206064 |
| Inchi | InChI=1S/C15H26O/c1-9-5-6-11-13(9)10-7-12(16)15(4,8-10)14(11,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@@H]1[C@H]3C[C@@H]([C@](C3)(C2(C)C)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cussonia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients