CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 102.00 °C. @ 2.60 mm Hg |
| Density | 0.930-0.935 |
| Refractive Index | 1.503-1.508 |
| Kovats Retention Index | 1556.8 |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.32 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 206.167065321 g/mol |
| Monoisotopic Mass | 206.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 305 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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-1-cyclohexen-1-yl)-1-penten-3-one is a monoterpene.