(2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID: 13344665
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| Compound Synonyms | CHEMBL3120644, SCHEMBL13559128 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMXFTMYMHGYJEI-ZAZKALAHSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.991 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.074 |
| Compound Name | (2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2091616 |
| Inchi | InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9?/m1/s1 |
| Smiles | C[C@@H]1CC[C@H](C(C1)O)C(C)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients