(E)-N-(2-methylpropyl)-4-oxododec-2-en-8,10-diynamide
PubChem CID: 44603265
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| Topological Polar Surface Area | 46.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-(2-methylpropyl)-4-oxododec-2-en-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NALDMLNGLAARFY-VAWYXSNFSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.701 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.546 |
| Compound Name | (E)-N-(2-methylpropyl)-4-oxododec-2-en-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.157 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 259.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8318638 |
| Inchi | InChI=1S/C16H21NO2/c1-4-5-6-7-8-9-10-15(18)11-12-16(19)17-13-14(2)3/h11-12,14H,8-10,13H2,1-3H3,(H,17,19)/b12-11+ |
| Smiles | CC#CC#CCCCC(=O)/C=C/C(=O)NCC(C)C |
| 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