(1S,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
PubChem CID: 6326198
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane |
| Prediction Hob | 0.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYQNCGFXZZVAAK-RZFFKMDDSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.895 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.011 |
| Compound Name | (1S,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.380013399999999 |
| Inchi | InChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(14)12(15)3/h6,11,13H,1,3,7-10H2,2,4-5H3/t11-,13-,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2C(=C)[C@]1(CC[C@]2(C)C=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients