1-((1R,2R,3R)-2-(3-Isopropylfuran-2-yl)-3-methylcyclopentyl)ethanone
PubChem CID: 12309974
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Furopelargon A, 1-((1R,2R,3R)-2-(3-Isopropylfuran-2-yl)-3-methylcyclopentyl)ethanone, DVIZGXBTTFXQQC-DDTOSNHZSA-N, Ethanone, 1-[(1R,2R,3R)-3-methyl-2-[3-(1-methylethyl)-2-furanyl]cyclopentyl]-, Ethanone, 1-[3-methyl-2-[3-(1-methylethyl)-2-furanyl]cyclopentyl]-, [1R-(1.alpha.,2.beta.,3.beta.)]- |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 1-[(1R,2R,3R)-3-methyl-2-(3-propan-2-ylfuran-2-yl)cyclopentyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVIZGXBTTFXQQC-DDTOSNHZSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.221 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.343 |
| Compound Name | 1-((1R,2R,3R)-2-(3-Isopropylfuran-2-yl)-3-methylcyclopentyl)ethanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4293488588235292 |
| Inchi | InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3/t10-,13+,14-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@@H]1C2=C(C=CO2)C(C)C)C(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients