Tetrahydro-4-hydroxy-6-propylpyran-2-one
PubChem CID: 130907047
Connections displayed (default: 10).
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| Compound Synonyms | Tetrahydro-4-hydroxy-6-propylpyran-2-one, CHEBI:207400, (4S,6R)-4-hydroxy-6-propyloxan-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4S,6R)-4-hydroxy-6-propyloxan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TWSUWPLPZNCARG-NKWVEPMBSA-N |
| Fcsp3 | 0.875 |
| Logs | -1.411 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.069 |
| Compound Name | Tetrahydro-4-hydroxy-6-propylpyran-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 158.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 158.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2432214 |
| Inchi | InChI=1S/C8H14O3/c1-2-3-7-4-6(9)5-8(10)11-7/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1 |
| Smiles | CCC[C@@H]1C[C@@H](CC(=O)O1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients