CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 527.2 525 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 66.10 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 66.0469501914 g/mol |
| Monoisotopic Mass | 66.0469501914 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 69.3 |
| 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
3-penten-1-yne is an enyne that is pentane which carries a triple bond at position 1 and a double bond at position 3. It has a role as a fungal metabolite and a human metabolite. It is an enyne, a volatile organic compound, a terminal acetylenic compound, an acyclic olefin and an acyclic acetylene.