(1R,3S,6S,7S,8R)-2,2,3,6-tetramethyltricyclo[5.3.1.03,8]undecan-8-ol
PubChem CID: 162941268
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 | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3S,6S,7S,8R)-2,2,3,6-tetramethyltricyclo[5.3.1.03,8]undecan-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHYHTHCGKWIVMS-CUZKYEQNSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.558 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.104 |
| Compound Name | (1R,3S,6S,7S,8R)-2,2,3,6-tetramethyltricyclo[5.3.1.03,8]undecan-8-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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6568064 |
| Inchi | InChI=1S/C15H26O/c1-10-5-7-14(4)13(2,3)11-6-8-15(14,16)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kopsia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ribes Sanguineum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients