(1S,2R,4R,5S)-5-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID: 130997892
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,4R,5S)-5-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWJAHYVMRGUXIN-TURQNECASA-N |
| Fcsp3 | 1.0 |
| Logs | -1.732 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.043 |
| Compound Name | (1S,2R,4R,5S)-5-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8867298 |
| Inchi | InChI=1S/C11H20O2/c1-10(2)8-4-9(13)11(10,3)5-7(8)6-12/h7-9,12-13H,4-6H2,1-3H3/t7-,8-,9-,11-/m1/s1 |
| Smiles | C[C@]12C[C@@H]([C@H](C1(C)C)C[C@H]2O)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Consolida Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helenium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Morinda Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients