(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
PubChem CID: 15565117
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-4-hydroxy-5,5-dimethyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C6H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIEVQTNTRMBCHO-SCSAIBSYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.074 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.233 |
| Compound Name | (4R)-4-hydroxy-5,5-dimethyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 130.139 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5334866 |
| Inchi | InChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1 |
| Smiles | CC1([C@@H](CC(=O)O1)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anaphalis Margaritacea (Plant) Rel Props:Source_db:cmaup_ingredients