3-[3-(2-Hydroxy-6-Methyl-5-Hepten-2-Yl)-7-Isopropenyl-6,9A,9B-Trimethyldodecahydro-1H-Cyclopenta[A]Naphthalen-6-Yl]Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C30H50O3 |
IUPAC Name | 3-[(9s)-3-hexa-1,3,5-triynyl-6-(methoxymethyl)-2,2',12-trimethylene-spiro[4,5,10,11-tetradehydrocyclopenta[11]annulene-9,1'-cyclopropane]-8-yl]prop-2-ynoate |
Molecular Mass | 458.716 g·mol−1 |
Heat of Formation | 4634.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.02 ± 1.08 D |
Volume | 527.55 Å 3 |
Surface Area | 433.85 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | -1.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | SITSHJMXTJRDSK-NKBSBBIRSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |