(6As,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6,6A,7,8,10,10A-Hexahydro-9H-Benzo[C]Chromen-9-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (6as,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6ah-benzo[c]chromen-9-one
Molecular Mass 316.435 g·mol−1
Heat of Formation -658.8 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 406.86 Å 3
Surface Area 351.01 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6ah-benzo[c]chromen-9-one
  • (6as,10ar)-3-amyl-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6ah-benzo[c]chromen-9-one
InChIKey YHIZWEDKQCYPIV-CVEARBPZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O