CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1041 1069 1040 1049 1044 1046 1062 1044 1088 1040 1048 1059 1059 1046 1047 1045 1044 1039 1040 1049 1059 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 152.23 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 152.120115130 g/mol |
| Monoisotopic Mass | 152.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193 |
| 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
3,3,6-Trimethylhepta-1,5-dien-4-one is a natural product found in Santolina corsica, Artemisia alba, and other organisms with data available.