CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1033 1038 1038.1 999 1039 1040 1030 1024 1024 1034 1032 1032 1024 1012 1035 1009 1035 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 158.24 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 g/mol |
| Monoisotopic Mass | 158.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 108 |
| 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
Pentyl isobutyrate is a natural product found in Mangifera indica and Humulus lupulus with data available.