(1R,2R,5S,9R)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
PubChem CID: 5479114
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 | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,5S,9R)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JAELKEBODQWGTA-DWZYQQQCSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.327 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.868 |
| Compound Name | (1R,2R,5S,9R)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4805071999999995 |
| Inchi | InChI=1S/C15H24O/c1-10-5-7-14-8-6-12(16)15(10,14)11(2)9-13(14,3)4/h9-10,12,16H,5-8H2,1-4H3/t10-,12-,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@]23[C@]1([C@@H](CC2)O)C(=CC3(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psiadia Anchusifolia (Plant) Rel Props:Source_db:cmaup_ingredients