(4A'S,7A'S)-6',7A'-Diphenyl-7',7A'-Dihydro-4A'H-Spiro[Cyclopentane-1,3'-Cyclopenta[E][1,2,4]Trioxine]

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22O3
IUPAC Name (4as,7as)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane]
Molecular Mass 334.408 g·mol−1
Heat of Formation -50.2 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 401.9 Å 3
Surface Area 342.52 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,7as)-6,7a-di(phenyl)spiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane]
  • (4as,7as)-6,7a-diphenylspiro[7,4a,7a-trihydrocyclopenta[2,1-e]1,2,4-trioxane-3,1'-cyclopentane]
  • pentatroxane
  • spiro(cyclopentane-1,3'-(7h)cyclopenta(1,2,4)trioxin), 4'a,7'a-dihydro-6',7'a-diphenyl-, (4'as-cis)-
CAS Number(s)
  • 124378-33-2
InChIKey IIBNWGMRDCFPEU-UNMCSNQZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O