(3Ar,5Ar,10Ar)-1-[(2S)-1-Hydroxy-2-Propanyl]-3A,5A-Dimethyl-6-Oxo-2,3,3A,4,5,5A,6,7,10,10A-Decahydrocyclohepta[E]Indene-8-Carbaldehyde

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (3ar,5ar,10ar)-1-[(1s)-2-hydroxy-1-methyl-ethyl]-3a,5a-dimethyl-6-oxo-3,4,5,7,10,10a-hexahydro-2h-cyclohepta[e]indene-8-carbaldehyde
Molecular Mass 316.435 g·mol−1
Heat of Formation -547.5 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 407.67 Å 3
Surface Area 318.66 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey QCQNVTLNEHGTQY-SFNSOECISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O