2-[(4S,5S,6R,7S,10S)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-2-ol
PubChem CID: 101763913
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 | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 2-[(4S,5S,6R,7S,10S)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDKJLEWHLZPFOR-RVGZMUMLSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.366 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.162 |
| Compound Name | 2-[(4S,5S,6R,7S,10S)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-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 | -3.6349064 |
| Inchi | InChI=1S/C15H26O/c1-9-7-8-15-10(2)5-6-11(14(3,4)16)13(15)12(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15?/m0/s1 |
| Smiles | C[C@H]1CCC23[C@@H]1[C@@H]2[C@H](CC[C@@H]3C)C(C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jackiella Javanica (Plant) Rel Props:Source_db:cmaup_ingredients