6-(2-{8-[(4-Fluorobenzyl)Oxy]-2,6-Dimethyl-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl}Ethyl)-4-Hydroxytetrahydro-2H-Pyran-2-One
Properties
Property | Value |
---|---|
Formula | C26H33FO4 |
IUPAC Name | (4s,6r)-6-[2-[(1r,2s,6r,8r,8as)-8-[(4-fluorophenyl)methoxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one |
Molecular Mass | 428.536 g·mol−1 |
Heat of Formation | -866.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.32 ± 1.08 D |
Volume | 542.5 Å 3 |
Surface Area | 411.25 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | 0.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | BJHHGFRLJBTPMS-BCJFOVIISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O F |