Propylure
PubChem CID: 5363412
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Propylure, Propylur, 10-Propyl-trans-5,9-tridecadienyl acetate, 10297-61-7, UNII-Y741AX057T, Y741AX057T, PROPYLURE [MI], [(5E)-10-propyltrideca-5,9-dienyl] acetate, 5,9-Tridecadien-1-ol, 10-propyl-, acetate, (E)-, AI3-33274, (E)-10-Propyl-5,9-tridecadien-1-ol acetate, trans-1-acetoxy-10-(n-propyl)trideca-5,9-diene, 5,9-Tridecadien-1-ol, 10-propyl-, acetate, (5E)-, SCHEMBL1300895, SCHEMBL1300896, (5E)-10-Propyl-5,9-tridecadienyl acetate #, Q27294331 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(5E)-10-propyltrideca-5,9-dienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZXDHMZKNAOPHQ-VOTSOKGWSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -4.158 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.337 |
| Compound Name | Propylure |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.481902399999999 |
| Inchi | InChI=1S/C18H32O2/c1-4-13-18(14-5-2)15-11-9-7-6-8-10-12-16-20-17(3)19/h6-7,15H,4-5,8-14,16H2,1-3H3/b7-6+ |
| Smiles | CCCC(=CCC/C=C/CCCCOC(=O)C)CCC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients