4-Hydroxy-3,5-Dimethyl-6-[(2S,4S)-4-Methyl-3-Oxo-2-Hexanyl]-2H-Pyran-2-One
Properties
Property | Value |
---|---|
Formula | C14H20O4 |
IUPAC Name | 6-[(1s,3r)-1,3-dimethyl-2-oxo-pentyl]-4-hydroxy-3,5-dimethyl-pyran-2-one |
Molecular Mass | 252.306 g·mol−1 |
Heat of Formation | -775.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.54 ± 1.08 D |
Volume | 318.72 Å 3 |
Surface Area | 267.89 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | 2.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | IJPRHCNTDLDONG-HTQZYQBOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |