Ethyl 2-(7-Ethoxy-3-Methyl-7-Oxo-1,3,5-Heptatrien-1-Yl)-1,3-Dimethyl-4-Oxocyclohexanecarboxylate
Properties
Property | Value |
---|---|
Formula | C21H30O5 |
IUPAC Name | ethyl (1s,2r,3s)-2-[(1e,3e,5e)-7-ethoxy-3-methyl-7-oxo-hepta-1,3,5-trienyl]-1,3-dimethyl-4-oxo-cyclohexanecarboxylate |
Molecular Mass | 362.460 g·mol−1 |
Heat of Formation | -923.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.42 ± 1.08 D |
Volume | 468.74 Å 3 |
Surface Area | 400.18 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | -0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | STCXGUDTDNHACQ-BPKCHMDZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H C O |