[(4R)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
PubChem CID: 6427053
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4R)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium |
| Prediction Hob | 0.0 |
| Xlogp | 0.1 |
| Molecular Formula | C9H20NO2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | UQOFGTXDASPNLL-AMDVSUOASA-N |
| Fcsp3 | 1.0 |
| Logs | 0.17 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.397 |
| Compound Name | [(4R)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.149 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 174.149 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6748632000000003 |
| Inchi | InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7?,8?,9-/m1/s1 |
| Smiles | CC1[C@@H](CC(O1)C[N+](C)(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients