4-Hydroxy-3-Isopropyl-7-Methyl-8-(4-Methylpentyl)-1,2-Naphthalenedione

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26O3
IUPAC Name 4-hydroxy-8-isohexyl-3-isopropyl-7-methyl-naphthalene-1,2-dione
Molecular Mass 314.419 g·mol−1
Heat of Formation -520.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 403.57 Å 3
Surface Area 346.42 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-
  • 3-hydroxy-6-methyl-2-(1-methyl)-5-(4-methylpentene-3-yl)-1,4-naphthoquinone
  • 4-hydroxy-7-methyl-8-(4-methylpentyl)-3-propan-2-yl-naphthalene-1,2-dione
  • 4-hydroxy-7-methyl-8-(4-methylpentyl)-3-propan-2-ylnaphthalene-1,2-dione
  • 4-hydroxy-8-isohexyl-3-isopropyl-7-methyl-1,2-naphthoquinone
  • 4-hydroxy-8-isohexyl-3-isopropyl-7-methylnaphthalene-1,2-dione
CAS Number(s)
  • 119139-54-7
InChIKey TUSFIEZGKPHKMA-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