3-Butyldihydrofuran-2(3H)-one
PubChem CID: 86852
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Butyldihydrofuran-2(3H)-one, 3-butyloxolan-2-one, 19340-56-8, EINECS 242-973-6, 3-Butyltetrahydrofuran-2-one, gama-octalactone, CHEMBL455439, SCHEMBL11599928, DTXSID90941019, 2(3H)-Furanone, 3-butyldihydro-, 3-Butyldihydro-2(3H)-furanone #, .alpha.-Butyl-.gamma.-butyrolactone, NS00052431 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27169 |
| Iupac Name | 3-butyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNGUMAGSNTVFLB-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -2.451 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.999 |
| Compound Name | 3-Butyldihydrofuran-2(3H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9033276 |
| Inchi | InChI=1S/C8H14O2/c1-2-3-4-7-5-6-10-8(7)9/h7H,2-6H2,1H3 |
| Smiles | CCCCC1CCOC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all