cis-2-(2-Pentenyl)furan
PubChem CID: 5370006
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| Compound Synonyms | cis-2-(2-Pentenyl)furan, 2-[(2Z)-2-Pentenyl]furan, (Z)-2-(2-Pentenyl)furan, KQMWMXVDLIDHGY-ARJAWSKDSA-N |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-pent-2-enyl]furan |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQMWMXVDLIDHGY-ARJAWSKDSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.002 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.849 |
| Compound Name | cis-2-(2-Pentenyl)furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9606028 |
| Inchi | InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h3-5,7-8H,2,6H2,1H3/b4-3- |
| Smiles | CC/C=C\CC1=CC=CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients