8-hexyl-7-[(propan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-hexyl-7-[(propan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-hexyl-7-[(propan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
Compound ID: | Y040-1346 |
Compound Name: | 8-hexyl-7-[(propan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
Molecular Weight: | 328.45 |
Molecular Formula: | C21 H28 O3 |
Smiles: | CCCCCCc1cc2C3CCCC=3C(=O)Oc2cc1OC(C)C |
Stereo: | ACHIRAL |
logP: | 6.2107 |
logD: | 6.2107 |
logSw: | -5.2851 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 28.3359 |
InChI Key: | DMPAGDWHEFJZAV-UHFFFAOYSA-N |