(1R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
PubChem CID: 90657615
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVCUGZBVCHODNB-JDOFKEMOSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.796 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.347 |
| Compound Name | (1R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6578624 |
| Inchi | InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10-/m1/s1 |
| Smiles | C[C@@]12CCC(C[C@H]1O)C(O2)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients