Norodovanone
PubChem CID: 45112410
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 54933-91-4, Norodovanone, RNEVZQGFNUZDJC-MIMYLULJSA-N, NCGC00488609-01, DB-310419, (S)-3-[(2s,5r)-tetrahydro-5-vinyl-5-methylfuran-2-yl ]-2-butanone, (S)-3-[(2S,5R)-Tetrahydro-5-vinyl-5-methylfuran-2-yl]-2-butanone |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RNEVZQGFNUZDJC-MIMYLULJSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -2.592 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.325 |
| Compound Name | Norodovanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8619306 |
| Inchi | InChI=1S/C11H18O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8,10H,1,6-7H2,2-4H3/t8-,10+,11+/m1/s1 |
| Smiles | C[C@@H]([C@@H]1CC[C@](O1)(C)C=C)C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients