2-[(3R,6R)-6-Methyl-6-(4-Methylphenyl)-1,2-Dioxan-3-Yl]-2-Propanol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22O3
IUPAC Name 2-[(3r,6r)-6-methyl-6-(p-tolyl)dioxan-3-yl]propan-2-ol
Molecular Mass 250.333 g·mol−1
Heat of Formation -359.1 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 319.59 Å 3
Surface Area 283.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dioxane-3-methanol, alpha,alpha,6-trimethyl-6-(4-methylphenyl)-, (3r-trans)-
  • 2-[(3r,6r)-6-methyl-6-(4-methylphenyl)-1,2-dioxan-3-yl]propan-2-ol
  • 2-[(3r,6r)-6-methyl-6-(4-methylphenyl)-3-dioxanyl]propan-2-ol
  • 2-[(3r,6r)-6-methyl-6-(4-methylphenyl)dioxan-3-yl]propan-2-ol
CAS Number(s)
  • 121067-52-5
InChIKey FCQCSKGBKUYFSW-UKRRQHHQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O