73019-15-5
Product Name:
Heptanoic acid (E)-3,7-dimethyl-2,6-octadienyl ester
Formula:
C17H30O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 166.47 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
|---|---|
| Kovats Retention Index | 1824 1827 1835 1820 1820 1826 1831 1826 1810 1828 |
COMPUTED DESCRIPTORS
| Molecular Weight | 266.4 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 266.224580195 g/mol |
| Monoisotopic Mass | 266.224580195 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 296 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |