(1S)-Exo-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-OL
PubChem CID: 10942852
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| Compound Synonyms | (1S)-EXO-1,2,7,7-TETRAMETHYLBICYCLO[2.2.1]HEPTAN-2-OL, AKOS006287223, NS00009430 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C11H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFYXNXGVLGKVCJ-LSJOCFKGSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.849 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.072 |
| Compound Name | (1S)-Exo-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-OL |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.578036 |
| Inchi | InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m0/s1 |
| Smiles | C[C@]12CC[C@H](C1(C)C)C[C@]2(C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidonia Jonesii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Monodora Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients