(2R)-5-hydroxy-2-nonyl-2,3-dihydrochromen-4-one
PubChem CID: 162896528
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5-hydroxy-2-nonyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C18H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQQQPUQXIXHMRM-CQSZACIVSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -5.994 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.259 |
| Compound Name | (2R)-5-hydroxy-2-nonyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 290.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.192127171428572 |
| Inchi | InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-12,14,19H,2-8,10,13H2,1H3/t14-/m1/s1 |
| Smiles | CCCCCCCCC[C@@H]1CC(=O)C2=C(C=CC=C2O1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Hydrangea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trifolium Fragiferum (Plant) Rel Props:Source_db:cmaup_ingredients