(4As,5S,8As)-5-Isopropyl-3-Methyl-8-Methylene-4A,5,6,7,8,8A-Hexahydro-2(1H)-Naphthalenone

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22O
IUPAC Name (4as,5s,8as)-5-isopropyl-3-methyl-8-methylene-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
Molecular Mass 218.335 g·mol−1
Heat of Formation -200.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 298.52 Å 3
Surface Area 254.35 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5s,8as)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
  • (4as,5s,8as)-5-isopropyl-3-methyl-8-methylene-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
  • 2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-methyl-8-methylene-5-(1-methylethyl)-
  • 5-isopropyl-3-methyl-8-methylene-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-2-one
  • 5-isopropyl-3-methyl-8-methylene-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-one
  • cadina-4,10(15)-dien-3-one
CAS Number(s)
  • 39765-72-5
InChIKey QUTSKAAVYUOEQA-BFHYXJOUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O