| Formula |
C9H16O3 |
| IUPAC Name |
[(3r)-3-methyl-6-oxo-hexyl] acetate |
| Molecular Mass |
172.222 g·mol−1 |
| Heat of Formation |
-632.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.82 ± 1.08 D |
| Volume |
230.61 Å 3 |
| Surface Area |
225.99 Å 2 |
| HOMO Energy |
-10.18 ± 0.55 eV |
| LUMO Energy |
0.69 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-acetoxy-4-methylhexanal
- 6-acetoxy-4-methylhexylaldehyde
- [(3r)-3-methyl-6-oxo-hexyl] acetate
- [(3r)-3-methyl-6-oxo-hexyl] ethanoate
- [(3r)-3-methyl-6-oxohexyl] acetate
- acetic acid [(3r)-3-methyl-6-oxohexyl] ester
- acetic acid [(3r)-6-keto-3-methyl-hexyl] ester
- hexanal, 6-(acetyloxy)-4-methyl-, (r)-
|
| CAS Number(s) |
|
| InChIKey |
RGZPPOVGSPGORM-MRVPVSSYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
|
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