CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear almost colourless liquid; herbal dill-like aroma |
|---|---|
| Solubility | Very slightly soluble in water |
| Density | 0.966-0.970 |
| Refractive Index | 1.478-1.481 |
| Kovats Retention Index | 1178 1192 1235 1235 1191.2 1183 1184 1184 1184 1197 1181 1186 1187 1187 1182 1187 1186 |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.23 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.120115130 g/mol |
| Monoisotopic Mass | 152.120115130 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 183 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran is a natural product found in Solanum lycopersicum with data available.