4-[(2S)-2-(4,4-dimethylcyclopenten-1-yl)propyl]furan-3-carbaldehyde
PubChem CID: 162894800
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| Topological Polar Surface Area | 30.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(2S)-2-(4,4-dimethylcyclopenten-1-yl)propyl]furan-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VTVXUNQJWFOXFX-NSHDSACASA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.387 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.259 |
| Compound Name | 4-[(2S)-2-(4,4-dimethylcyclopenten-1-yl)propyl]furan-3-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2437496588235293 |
| Inchi | InChI=1S/C15H20O2/c1-11(12-4-5-15(2,3)7-12)6-13-9-17-10-14(13)8-16/h4,8-11H,5-7H2,1-3H3/t11-/m0/s1 |
| Smiles | C[C@@H](CC1=COC=C1C=O)C2=CCC(C2)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Dibotrys (Plant) Rel Props:Source_db:cmaup_ingredients