CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to pale yellow liquid; pungent herbaceous odour |
|---|---|
| Solubility | insoluble in water; soluble in fats |
| Density | 0.880-0.890 |
| Refractive Index | 1.508-1.516 |
| Kovats Retention Index | 1072 1068 1057 1074 1063 1063 1068 1069 1072 |
COMPUTED DESCRIPTORS
| Molecular Weight | 124.18 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 124.088815002 g/mol |
| Monoisotopic Mass | 124.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 132 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trans, trans-3,5-Octadien-2-one is an enone.