(1S,2R,3R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
PubChem CID: 162892613
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 | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,2R,3R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PEXFPFKCJPWRDJ-QFEQQRJNSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.727 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.783 |
| Compound Name | (1S,2R,3R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-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 | -3.7828064 |
| Inchi | InChI=1S/C15H26O/c1-10-5-8-15-12(10)6-7-13(15,3)9-11(2)14(15,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,13+,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@]23[C@@H]1CC[C@@]2(C[C@H]([C@@]3(C)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Odorus (Plant) Rel Props:Source_db:cmaup_ingredients