(3As,5As,10Ar,10Bs)-1-Isopropyl-3A,5A,8-Trimethyl-4,5,5A,6,9,10,10A,10B-Octahydrocyclohepta[E]Inden-3(3Ah)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30O
IUPAC Name (3as,5as,10ar,10bs)-1-isopropyl-3a,5a,8-trimethyl-5,6,9,10,10a,10b-hexahydro-4h-cyclohepta[e]inden-3-one
Molecular Mass 286.452 g·mol−1
Heat of Formation -266.0 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 394.61 Å 3
Surface Area 312.83 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • cyanthiwigin a
  • cyclohept(e)inden-3(3ah)-one, 4,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3as,5as,10ar,10bs)-
  • cyclohept[e]inden-3(3ah)-one, 4,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3as,5as,10ar,10bs)-
CAS Number(s)
  • 150998-98-4
InChIKey UBFCZYCSGVNSQM-VBSBHUPXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O