CID 102305890
PubChem CID: 102305890
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,4R,5R)-4,8,8-trimethyl-5-(3-oxobutyl)bicyclo[3.2.1]octan-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JNYTXKVQDFVROJ-HCKVZZMMSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.917 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.441 |
| Compound Name | CID 102305890 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7769009999999996 |
| Inchi | InChI=1S/C15H24O2/c1-10-5-6-12-9-13(17)15(10,14(12,3)4)8-7-11(2)16/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2CC(=O)[C@]1(C2(C)C)CCC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients