2-Hydroxy-3-Methyl-6-[(2S,4S)-4-Methyl-3-Oxo-2-Hexanyl]-4H-Pyran-4-One
Properties
Property | Value |
---|---|
Formula | C13H18O4 |
IUPAC Name | 6-[(1s,3s)-1,3-dimethyl-2-oxo-pentyl]-2-hydroxy-3-methyl-pyran-4-one |
Molecular Mass | 238.280 g·mol−1 |
Heat of Formation | -697.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.11 ± 1.08 D |
Volume | 305.34 Å 3 |
Surface Area | 268.82 Å 2 |
HOMO Energy | -9.44 ± 0.55 eV |
LUMO Energy | -0.38 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | NPTUKFZTSPTZNB-CBAPKCEASA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |