(1R,3As,4S,8Ar)-7-Isopropyl-1,4-Dimethyl-1,2,3,3A,4,5,6,8A-Octahydro-1,4-Azulenediol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H26O2
IUPAC Name (1r,3as,4s,8ar)-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
Molecular Mass 238.366 g·mol−1
Heat of Formation -551.1 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 327.38 Å 3
Surface Area 270.12 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4s,8ar)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
  • (1r,3as,4s,8ar)-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
InChIKey IWQURBSTAIRNAE-LJISPDSOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O