(1R,2R,5R,8R,9R)-4,4-dimethyltetracyclo[6.3.2.01,8.02,5]tridecan-9-ol
PubChem CID: 162825099
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 | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2R,5R,8R,9R)-4,4-dimethyltetracyclo[6.3.2.01,8.02,5]tridecan-9-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFBIFSIVSFAGEV-FPVZYODXSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.384 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.519 |
| Compound Name | (1R,2R,5R,8R,9R)-4,4-dimethyltetracyclo[6.3.2.01,8.02,5]tridecan-9-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 | -3.5309071999999997 |
| Inchi | InChI=1S/C15H24O/c1-13(2)9-11-10(13)3-5-15-8-7-14(11,15)6-4-12(15)16/h10-12,16H,3-9H2,1-2H3/t10-,11-,12-,14+,15+/m1/s1 |
| Smiles | CC1(C[C@@H]2[C@H]1CC[C@@]34[C@@]2(CC[C@H]3O)CC4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients