(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one
PubChem CID: 15894374
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 | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZDZYXINURVBJN-IUODEOHRSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.205 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.404 |
| Compound Name | (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5058079999999996 |
| Inchi | InChI=1S/C15H22O/c1-10(2)14-13(16)9-12(4)15(14)7-5-11(3)6-8-15/h5,12H,6-9H2,1-4H3/t12-,15-/m1/s1 |
| Smiles | C[C@@H]1CC(=O)C(=C(C)C)[C@]12CCC(=CC2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nekemias Grossedentata (Plant) Rel Props:Source_db:cmaup_ingredients