(3R,4aR,5S,8aR)-4a,5-dimethyl-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
PubChem CID: 162869957
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4aR,5S,8aR)-4a,5-dimethyl-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBYYGPVDZLNUAX-KYEXWDHISA-N |
| Fcsp3 | 0.8 |
| Logs | -4.548 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.477 |
| Compound Name | (3R,4aR,5S,8aR)-4a,5-dimethyl-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| 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 | -4.0445072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1 |
| Smiles | C[C@H]1CCC[C@H]2[C@@]1(C[C@@H](C(=O)C2)C(=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viburnum Luzonicum (Plant) Rel Props:Source_db:cmaup_ingredients