(1S,2R,5S,8S,11R)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undec-6-en-2-ol
PubChem CID: 162851761
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,5S,8S,11R)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undec-6-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCDMDNMOIJQPML-IKSZGEOFSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.466 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.794 |
| Compound Name | (1S,2R,5S,8S,11R)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undec-6-en-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4805071999999995 |
| Inchi | InChI=1S/C15H24O/c1-10-5-8-14(4)11(2)9-13(3)7-6-12(16)15(10,13)14/h9-10,12,16H,5-8H2,1-4H3/t10-,12-,13+,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@]2([C@]13[C@@H](CC[C@]3(C=C2C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Precatorius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhodiola Quadrifida (Plant) Rel Props:Source_db:cmaup_ingredients