113818-02-3
Product Name:
Octanoic acid, 3-[(2-ethyl-1-oxohexyl)oxy]-2,2-dimethylpropyl ester
Formula:
C21H40O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 356.5 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 17 |
| Exact Mass | 356.29265975 g/mol |
| Monoisotopic Mass | 356.29265975 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 363 |
| 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 |