(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
PubChem CID: 10352414
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| Compound Synonyms | (2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid, CHEBI:66026, (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid, (2E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid, (2e,6r)-2,6-dimethyl-8-hydroxy-2-octenoic acid, SCHEMBL8339263, Q27134529 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CDAJACJYYZHNJA-CBVZUMJXSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.161 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.755 |
| Compound Name | (2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 186.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7894562 |
| Inchi | InChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/b9-5+/t8-/m1/s1 |
| Smiles | C[C@H](CC/C=C(\C)/C(=O)O)CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients