(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
PubChem CID: 102174448
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SEGYPOKUPWNPPY-NRPADANISA-N |
| Fcsp3 | 0.7 |
| Logs | -1.69 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.882 |
| Compound Name | (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7733569999999999 |
| Inchi | InChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m0/s1 |
| Smiles | C[C@@H]([C@@H]1CC[C@](O1)(C)C=C)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hopea Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients