CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 187.00 °C. @ 760.00 mm Hg |
|---|---|
| Kovats Retention Index | 1080 |
COMPUTED DESCRIPTORS
| Molecular Weight | 172.26 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.146329876 g/mol |
| Monoisotopic Mass | 172.146329876 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 130 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-methyl-2-heptanyl acetate is the acetate ester of 6-methylheptan-2-ol. It has a role as a metabolite.