Methyl 6-Hydroxy-2-[(1E,3E)-7-Hydroxy-3-Methyl-1,3-Octadien-1-Yl]-1,3-Dimethyl-4-Oxo-2-Cyclohexene-1-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H28O5
IUPAC Name methyl (1r,6r)-6-hydroxy-2-[(1e,3e,7r)-7-hydroxy-3-methyl-octa-1,3-dienyl]-1,3-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate
Molecular Mass 336.423 g·mol−1
Heat of Formation -928.9 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 430.45 Å 3
Surface Area 374.91 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey BLHVPPCTMAQRTP-CXEBLAKASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O