CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
|---|---|
| Kovats Retention Index | 1756 1719.8 |
COMPUTED DESCRIPTORS
| Molecular Weight | 194.31 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 194.167065321 g/mol |
| Monoisotopic Mass | 194.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 223 |
| 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
(E)-5-Isopropyl-8-methylnona-6,8-dien-2-one is a natural product found in Nicotiana tabacum with data available.