2-ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran
Chemical Structure Depiction of
2-ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran
2-ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran
Compound characteristics
| Compound ID: | 3690-0704 |
| Compound Name: | 2-ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran |
| Molecular Weight: | 256.34 |
| Molecular Formula: | C17 H20 O2 |
| Smiles: | CC1(CCC2C(c3ccccc3OC2(C)C)O1)C#C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8827 |
| logD: | 3.8827 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.6375 |
| InChI Key: | XJYIHLZPVJZAOI-UHFFFAOYSA-N |