(1R,3S,5E)-5-{(2E)-2-[(3As,7Ar)-1-(6,6-Difluoro-7-Hydroxy-7-Methyl-2-Octanyl)-7A-Methyloctahydro-4H-Inden-4-Ylidene]Ethylidene}-4-Methylene-1,3-Cyclohexanediol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H22F2O3
IUPAC Name (3e)-3-[2-[2-[3-[2-[(4,4-difluoro-5-methylene-3-furylidene)methylene]cyclopropyl]prop-1-ynyl]-3-methyl-benzene-4,5,6-triid-1-yl]ethylidene]-2-methylene-5-(oxomethylene)cyclopentanone
Molecular Mass 444.469 g·mol−1
Heat of Formation 3082.6 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 495.69 Å 3
Surface Area 453.73 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
InChIKey BYSQJLGAMANIHA-FOODPTGNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F