(2E)-2-Bromo-2-Cycloundecen-1-Yl (1R,4S)-4,7,7-Trimethyl-3-Oxo-2-Oxabicyclo[2.2.1]Heptane-1-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H31BrO4 |
IUPAC Name | [(1s,2e)-2-bromocycloundec-2-en-1-yl] (1s,4r)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate |
Molecular Mass | 427.372 g·mol−1 |
Heat of Formation | -801.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.76 ± 1.08 D |
Volume | 478.02 Å 3 |
Surface Area | 370.2 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | 0.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | UTFYIQGWNFBBOA-FKZCPHAGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br |