4-Hydroxy-3-{[4-(2-Methyl-2-Propanyl)Cyclohexyl]Methyl}-1,2-Naphthalenedione
Properties
Property | Value |
---|---|
Formula | C21H26O3 |
IUPAC Name | 3-[(4-tert-butylcyclohexyl)methyl]-4-hydroxy-naphthalene-1,2-dione |
Molecular Mass | 326.429 g·mol−1 |
Heat of Formation | -482.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.81 ± 1.08 D |
Volume | 408.47 Å 3 |
Surface Area | 346.96 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | -1.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | NEGDTWQGGLJCTL-HDJSIYSDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |