Estradiol 3-Propyl Ether

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O2
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Molecular Mass 314.462 g·mol−1
Heat of Formation -445.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 404.59 Å 3
Surface Area 347.62 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
  • 3-propoxyestra-1,3,5(10)-trien-17beta-ol
CAS Number(s)
  • 22034-63-5
InChIKey OKWLCMYNQNHQSR-MJCUULBUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O