3-(2-Ethoxy-4-(4-(3-Hydroxy-2-Methyl-4-(3-Methylbutanoyl)Phenoxy)Butoxy)Phenyl)Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H36O7
IUPAC Name 3-[2-ethoxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid
Molecular Mass 472.571 g·mol−1
Heat of Formation -1300.9 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 587.74 Å 3
Surface Area 524.63 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-ethoxy-4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid
  • 3-[2-ethoxy-4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid
InChIKey LENFBKNDSAMDNF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O