2-[(1S,3R,5Ar,9S,9Ar)-1-Methoxy-3,4,4-Trimethyloctahydro-3,9A-Epidioxy-2-Benzoxepin-9(1H)-Yl]Ethanol
Properties
Property | Value |
---|---|
Formula | C16H28O5 |
IUPAC Name | 2-[(1s,2s,6r,9s,12s)-12-methoxy-8,8,9-trimethyl-10,11,13-trioxatricyclo[7.2.2.01,6]tridecan-2-yl]ethanol |
Molecular Mass | 300.391 g·mol−1 |
Heat of Formation | -784.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.17 ± 1.08 D |
Volume | 369.12 Å 3 |
Surface Area | 299.76 Å 2 |
HOMO Energy | -9.26 ± 0.55 eV |
LUMO Energy | 0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | BCUBFQJBIVOSFG-KUCCMMOJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |