4-Butyloxolan-2-one
PubChem CID: 12735706
Connections displayed (default: 10).
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| Compound Synonyms | 4-butyloxolan-2-one, 4-butyldihydrofuran-2(3H)-one, 22530-99-0, DTXSID90508489, Brivaracetam Impurity 30, SCHEMBL5988542, 4-Butyldihydro-2(3h)-furanone, CHEBI:87416, 4-butyldihydro-2(3h)-fu ranone, DTXCID00459296, WJPRNDJHASWDLE-UHFFFAOYSA-N, (+/-)4-butyldihydrofuran-2-one, (+/-)-4-butyldihydrofuran-2-one, DB-167566, Q27159612 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-butyloxolan-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJPRNDJHASWDLE-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 4-Butyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 | -1.8214276000000003 |
| Inchi | InChI=1S/C8H14O2/c1-2-3-4-7-5-8(9)10-6-7/h7H,2-6H2,1H3 |
| Smiles | CCCCC1CC(=O)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients