(2S)-2-methyl-4-(13-phenyltridecyl)-2H-furan-5-one
PubChem CID: 163052250
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methyl-4-(13-phenyltridecyl)-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.8 |
| Molecular Formula | C24H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLDIZAGVYXETLE-NRFANRHFSA-N |
| Fcsp3 | 0.625 |
| Logs | -6.62 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.987 |
| Compound Name | (2S)-2-methyl-4-(13-phenyltridecyl)-2H-furan-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 356.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.841379230769231 |
| Inchi | InChI=1S/C24H36O2/c1-21-20-23(24(25)26-21)19-15-10-8-6-4-2-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,20-21H,2-10,12,15-16,19H2,1H3/t21-/m0/s1 |
| Smiles | C[C@H]1C=C(C(=O)O1)CCCCCCCCCCCCCC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cytisus Ciliatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Domohinea Perrieri (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Helipterum Propinquum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Parthenium Bipinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Pittosporum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients