2,5-Dimethyl-3-Hexanone

Molecule SVG Image

Properties Simple | Detailed

Formula C8H16O
IUPAC Name 2,5-dimethylhexan-3-one
Molecular Mass 128.212 g·mol−1
Heat of Formation -334.9 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 194.79 Å 3
Surface Area 186.54 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 4.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hexanone, 2,5-dimethyl-
  • 3-hexanone, 2,5-dimethyl- (8ci)(9ci)
  • isobutyl isopropyl ketone
CAS Number(s)
  • 1888-57-9
InChIKey TUIWMHDSXJWXOH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O