4-(4,4-dimethyl-1,5-dioxo-2-oxaspiro[5.5]undecan-3-yl)phenyl acetate
Chemical Structure Depiction of
4-(4,4-dimethyl-1,5-dioxo-2-oxaspiro[5.5]undecan-3-yl)phenyl acetate
4-(4,4-dimethyl-1,5-dioxo-2-oxaspiro[5.5]undecan-3-yl)phenyl acetate
Compound characteristics
| Compound ID: | 8012-9421 |
| Compound Name: | 4-(4,4-dimethyl-1,5-dioxo-2-oxaspiro[5.5]undecan-3-yl)phenyl acetate |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C20 H24 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C(C)(C)C(C2(CCCCC2)C(=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7803 |
| logD: | 3.7803 |
| logSw: | -3.8257 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.496 |
| InChI Key: | ITIHSQKLMLZZQV-MRXNPFEDSA-N |