23267-57-4
Product Name:
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Formula:
C13H20O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 48.5 - 49.5 °C |
| Solubility | Insoluble in water |
| Kovats Retention Index | 1456 1456 1465 1467 1458 1460 1463 1458 1459 1459 1473 |
COMPUTED DESCRIPTORS
| Molecular Weight | 208.30 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.146329876 g/mol |
| Monoisotopic Mass | 208.146329876 g/mol |
| Topological Polar Surface Area | 29.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 329 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Beta-ionone 5,6-epoxide is an apo carotenoid monoterpenoid that is beta-ionone substituted by an epoxy group across positions 5 and 6. It has a role as a metabolite. It is an apo carotenoid monoterpenoid and an epoxide. It is functionally related to a beta-ionone.