CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; hazelnut, metallic, buttey odour |
|---|---|
| Solubility | slightly soluble in water; soluble in oils |
| Density | 0.845-0.852 |
| Refractive Index | 1.440-1.445 |
| Kovats Retention Index | 970 972 |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.20 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 126.104465066 g/mol |
| Monoisotopic Mass | 126.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 114 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-Methyl-2-hepten-4-one is a natural product found in Corylus avellana with data available.