CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1227 1228 |
|---|---|
| Chemical Classes | Other Classes -> Aliphatics, Saturated (>C11) |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.36 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 8 |
| Exact Mass | 184.219100893 g/mol |
| Monoisotopic Mass | 184.219100893 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 96.2 |
| 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
3,8-dimethylundecane is an alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of an undecane.