Formula |
C18H26O5 |
IUPAC Name |
ethyl 2-(3,5-dihydroxy-2-octanoyl-phenyl)acetate |
Molecular Mass |
322.396 g·mol−1 |
Heat of Formation |
-1018.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.58 ± 1.08 D |
Volume |
411.38 Å 3 |
Surface Area |
345.52 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-0.29 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-(2-caprylyl-3,5-dihydroxy-phenyl)acetic acid ethyl ester
- 2-[3,5-dihydroxy-2-(1-oxooctyl)phenyl]acetic acid ethyl ester
- ethyl 2-(3,5-dihydroxy-2-octanoyl-phenyl)ethanoate
- ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
|
InChIKey |
UVVWQQKSNZLUQA-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|