CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1123 1126 1124 1126 1121 1126 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 172.26 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 g/mol |
| Monoisotopic Mass | 172.146329876 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 121 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pentyl 2-methylbutyrate is a natural product found in Capsicum annuum with data available.