(3Ar,4S,6Ar)-4-[(5S)-5-Methoxyheptyl]Hexahydro-2(1H)-Pentalenone
Properties
Property | Value |
---|---|
Formula | C16H28O2 |
IUPAC Name | (3ar,4s,6ar)-4-[(5s)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-one |
Molecular Mass | 252.392 g·mol−1 |
Heat of Formation | -552.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.59 ± 1.08 D |
Volume | 356.12 Å 3 |
Surface Area | 310.39 Å 2 |
HOMO Energy | -9.78 ± 0.55 eV |
LUMO Energy | 1.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | KDULJHFMZBRAHO-LQKXBSAESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |