(1S,4S,5R,8S,9R,10R,12R,13R)-10-Methoxy-1,5,9-Trimethyl-11,14,15,16-Tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]Hexadecane

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26O5
IUPAC Name [(1r,2r)-1-methoxy-2-[(1s,3s,4r)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propyl] formate
Molecular Mass 298.375 g·mol−1
Heat of Formation -743.8 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 356.15 Å 3
Surface Area 291.82 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 3.83 ± eV
Point Group Symmetry C1
InChIKey SXYIRMFQILZOAM-HZXQBSOSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O