(5R)-4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-hydroxy-2,5-dihydrofuran-3-carbaldehyde
PubChem CID: 163035058
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5R)-4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-hydroxy-2,5-dihydrofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QQWXKXHRKQXWMC-QMTHXVAHSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.727 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.257 |
| Compound Name | (5R)-4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-hydroxy-2,5-dihydrofuran-3-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9029956 |
| Inchi | InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,8,10,14,17H,5-7,9H2,1-3H3/t10-,14-/m1/s1 |
| Smiles | C[C@H](CC1=C(CO[C@H]1O)C=O)C2=CCC(C2)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients