(3R)-3-Hydroxy-2,2,4-Trimethylpentyl 2-Methylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H24O3
IUPAC Name [(3r)-3-hydroxy-2,2,4-trimethyl-pentyl] 2-methylpropanoate
Molecular Mass 216.317 g·mol−1
Heat of Formation -779.1 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 302.22 Å 3
Surface Area 264.92 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy 4.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3r)-3-hydroxy-2,2,4-trimethylpentyl] ester
  • 2-methylpropionic acid [(3r)-3-hydroxy-2,2,4-trimethyl-pentyl] ester
  • [(3r)-3-hydroxy-2,2,4-trimethyl-pentyl] 2-methylpropanoate
  • [(3r)-3-hydroxy-2,2,4-trimethylpentyl] 2-methylpropanoate
InChIKey DAFHKNAQFPVRKR-SNVBAGLBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O