CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2163.6 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 282.5 g/mol |
|---|---|
| XLogP3 | 7.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 282.255880323 g/mol |
| Monoisotopic Mass | 282.255880323 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 234 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(13E)-octadecenoic acid is an octadecenoic acid with a trans-double bond at position C-13. It has a role as a human metabolite. It is a fatty acid 18:1 and an octadecenoic acid.