CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | < 25 °C |
| Solubility | soluble in alcohol; insoluble in water |
| Density | 0.926-0.935 |
| Refractive Index | 1.502-1.507 |
| Kovats Retention Index | 1664 1664.5 1605 1679 1689 1734 |
COMPUTED DESCRIPTORS
| Molecular Weight | 232.36 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 232.182715385 g/mol |
| Monoisotopic Mass | 232.182715385 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one is a sesquiterpenoid.