2(3H)-Furanone, dihydro-3-pentyl-
PubChem CID: 559675
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2(3H)-Furanone, dihydro-3-pentyl-, gama-nonalactone, 51849-71-9, 3-pentyltetrahydrofuran-2-one, CHEMBL476333, SCHEMBL1759484, DTXSID90339896, ZWYZHNNHSZXTTG-UHFFFAOYSA-N, 3-Pentyldihydro-2(3H)-furanone # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27169 |
| Iupac Name | 3-pentyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C9H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZWYZHNNHSZXTTG-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -2.967 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.528 |
| Compound Name | 2(3H)-Furanone, dihydro-3-pentyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.264495 |
| Inchi | InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-11-9(8)10/h8H,2-7H2,1H3 |
| Smiles | CCCCCC1CCOC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all