HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Propenoic acid, 4-(trans-4-propylcyclohexyl)phenyl ester
4-(trans-4-propylcyclohexyl)phenyl acrylate · trans-4-(4'-propylcyclohexyl)phenyl acrylate · 2-Propenoic acid, 4-(trans-4-propylcyclohexyl)phenyl este · 2-Propenoic acid 4-(trans-4-propylcyclohexyl)phenyl ester
Identifikatoren & physikalische Daten
| CAS No. | 168274-89-3 |
|---|---|
| Summenformel | C18H24O2 |
| Durchschnittliche Molmasse | 272,4 g/mol |
| Monoisotopische Masse | 272,17763 g/mol |
| SMILES | C=CC(=O)Oc1ccc(C2CCC(CCC)CC2)cc1 |
| InChIKey | QEVDSQAQCWMYKW-UHFFFAOYSA-N |
| PubChem CID | 20594792 |
| DTXSID | DTXSID30608997 |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 307 |
| Siedepunkt | 387.5±12.0 °C(Predicted) |
| Dichte | 0.994±0.06 g/cm3(Predicted) |
| InChI | InChI=1S/C18H24O2/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(19)4-2/h4,10-15H,2-3,5-9H2,1H3/t14-,15- |
| InChIKey | QEVDSQAQCWMYKW-SHTZXODSSA-N |
| SMILES | C(OC1=CC=C([C@@H]2CC[C@@H](CCC)CC2)C=C1)(=O)C=C |