CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, colorless oily liquid having a hydrocarbon odor. |
|---|---|
| Kovats Retention Index | 797 797.7 796.35 797 797 798 797 797 797 796 797 798 798 798 788 799 796 796.8 797 797 797 797 798 |
| Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 112.125200510 g/mol |
| Monoisotopic Mass | 112.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 53.1 |
| 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
(E)-3-octene is a 3-octene in which the double bond adopts a trans-configuration. It has a role as a human metabolite.