CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 990.5 995.5 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 128.21 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.120115130 g/mol |
| Monoisotopic Mass | 128.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,2-Dimethylhexanal is a natural product found in Agastache foeniculum with data available.