(3S,3Ar,7S,8Ar)-6-(3-Hydroxypropyl)-3,7-Dimethyl-3,3A,4,7,8,8A-Hexahydro-2H-Cyclohepta[B]Furan-2-One
Properties
Property | Value |
---|---|
Formula | C14H22O3 |
IUPAC Name | (3s,3ar,7s,8ar)-6-(3-hydroxypropyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one |
Molecular Mass | 238.323 g·mol−1 |
Heat of Formation | -619.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.45 ± 1.08 D |
Volume | 310.45 Å 3 |
Surface Area | 272.08 Å 2 |
HOMO Energy | -9.70 ± 0.55 eV |
LUMO Energy | 0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | OXNJNKIMPIRBQC-YRRQLQLVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |