(3E)-4-[(1R,4S,5S,6R)-1,4,5-Trihydroxy-2,2,6-Trimethylcyclohexyl]-3-Buten-2-One
Properties
Property | Value |
---|---|
Formula | C13H22O4 |
IUPAC Name | (e)-4-[(1r,4s,5s,6r)-1,4,5-trihydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one |
Molecular Mass | 242.311 g·mol−1 |
Heat of Formation | -830.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.21 ± 1.08 D |
Volume | 307.26 Å 3 |
Surface Area | 260.99 Å 2 |
HOMO Energy | -9.83 ± 0.55 eV |
LUMO Energy | 3.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | OJRIULXCUMIXBT-VZTUNGRISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |