3-Ethynyl-3-Hydroxy-3A-Methyl-7-Methylenedodecahydro-2'H-Spiro[Cyclopenta[A]Naphthalene-6,1'-Cyclopentan]-2'-One
Properties
Property | Value |
---|---|
Formula | C21H28O2 |
IUPAC Name | (3s,3as,5as,6r,9as,9bs)-3-ethynyl-3-hydroxy-3a-methyl-7-methylene-spiro[2,4,5,5a,8,9,9a,9b-octahydro-1h-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one |
Molecular Mass | 312.446 g·mol−1 |
Heat of Formation | -217.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.20 ± 1.08 D |
Volume | 403.27 Å 3 |
Surface Area | 317.17 Å 2 |
HOMO Energy | -9.78 ± 0.55 eV |
LUMO Energy | 0.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | NBAYWSQXNIPUON-IZTFOULLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |