CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1161 1160.82 1161.03 1161.04 1160 1163 1163 1164 1166 1166 1167 1159 1162 1161.2 1159 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 170.33 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 8 |
| Exact Mass | 170.203450829 g/mol |
| Monoisotopic Mass | 170.203450829 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 76.1 |
| 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
4-methylundecane is an alkane that is undecane substituted by a methyl group at position 4. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of an undecane.