CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless, low-melting solid with a maple syrup or brown sugar odour |
|---|---|
| Boiling Point | 247.00 to 248.00 °C. @ 760.00 mm Hg |
| Solubility | very soluble in water and soluble in alcohol |
| Density | 0.966-0.973 |
| Refractive Index | 1.457-1.461 |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.25 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.130679813 g/mol |
| Monoisotopic Mass | 170.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
7-isopropyl-4-methyloxepan-2-one is an epsilon-lactone that is oxepan-2-one which is substituted at positions 4 and 7 by methyl and isopropyl groups, respectively.