2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
Compound ID: | 8013-3361 |
Compound Name: | 2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
Molecular Weight: | 306.42 |
Molecular Formula: | C17 H22 O3 S |
Smiles: | Cc1ccc(cc1SC1CC(C2OCC1O2)=O)C(C)(C)C |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.094 |
logD: | 4.094 |
logSw: | -4.2678 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 31.0175 |
InChI Key: | MKGHGRHUWHPWPR-UHFFFAOYSA-N |