1,1'-{3,3-Pentanediylbis[(2-Methyl-4,1-Phenylene)Oxy]}Bis(3,3-Dimethyl-2-Butanone)

Molecule SVG Image

Properties Simple | Detailed

Formula C31H44O4
IUPAC Name 1-[4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one
Molecular Mass 480.679 g·mol−1
Heat of Formation 152.3 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 587.55 Å 3
Surface Area 424.29 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[1-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]-1-ethylpropyl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
  • 1-[4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one
  • 1-[4-[3-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one
InChIKey WBLVHHHWMJPSGY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O