(2'S,6'R)-6'-Hydroxy-2'-(Hydroxymethyl)-2',4',6'-Trimethyl-2',3'-Dihydrospiro[Cyclopropane-1,5'-Inden]-7'(6'H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (2s,5r)-5-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-spiro[1h-indene-6,1'-cyclopropane]-4-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -436.6 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 313.03 Å 3
Surface Area 264.85 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r)-5-hydroxy-2,5,7-trimethyl-2-methylol-spiro[1h-indene-6,1'-cyclopropane]-4-one
  • (2s,5r)-5-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-4-spiro[1h-indene-6,1'-cyclopropane]one
  • (2s,5r)-5-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-spiro[1h-indene-6,1'-cyclopropane]-4-one
  • 2',3'-dihydro-6'-hydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5h)inden)-7'(6'h)-one (2's-cis)-
  • 6-deoxyilludin s
  • spiro(cyclopropane-1,5'-(5h)inden)-7'(6'h)-one, 2',3'-dihydro-6'-hydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2's-cis)-
CAS Number(s)
  • 112953-13-6
InChIKey IEHHZEZPEUURRA-KBPBESRZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O