(Z,5R)-5-hydroxy-N-(2-methylpropyl)undec-2-en-8,10-diynamide
PubChem CID: 162913335
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 49.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,5R)-5-hydroxy-N-(2-methylpropyl)undec-2-en-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BZDJRFQEKCACRF-KOTGUFOOSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -2.336 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.863 |
| Compound Name | (Z,5R)-5-hydroxy-N-(2-methylpropyl)undec-2-en-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 247.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 247.157 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 247.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5872956 |
| Inchi | InChI=1S/C15H21NO2/c1-4-5-6-7-9-14(17)10-8-11-15(18)16-12-13(2)3/h1,8,11,13-14,17H,7,9-10,12H2,2-3H3,(H,16,18)/b11-8-/t14-/m1/s1 |
| Smiles | CC(C)CNC(=O)/C=C\C[C@@H](CCC#CC#C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients