(Z)-N-[(2S)-2-methylbutyl]undec-2-en-8,10-diynamide
PubChem CID: 162936358
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| Topological Polar Surface Area | 29.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z)-N-[(2S)-2-methylbutyl]undec-2-en-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVXYCOGZGQWTFZ-LLNWESEBSA-N |
| Fcsp3 | 0.5625 |
| Logs | -3.222 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.53 |
| Compound Name | (Z)-N-[(2S)-2-methylbutyl]undec-2-en-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 245.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 245.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5800692 |
| Inchi | InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12-/t15-/m0/s1 |
| Smiles | CC[C@H](C)CNC(=O)/C=C\CCCCC#CC#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