(4S,5S)-4-(3,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-dioxolan-2-one
PubChem CID: 54763025
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4450668 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4S,5S)-4-(3,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-dioxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C13H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UVLGADXMTPWODL-QPUJVOFHSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -3.784 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.076 |
| Compound Name | (4S,5S)-4-(3,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-dioxolan-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0655158666666664 |
| Inchi | InChI=1S/C13H16O5/c1-7-10(15-3)5-9(6-11(7)16-4)12-8(2)17-13(14)18-12/h5-6,8,12H,1-4H3/t8-,12+/m0/s1 |
| Smiles | C[C@H]1[C@@H](OC(=O)O1)C2=CC(=C(C(=C2)OC)C)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients