(1,4-Dimethyl-2-oxabicyclo[3.2.1]octan-8-yl)methanol
PubChem CID: 5318195
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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 | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1,4-dimethyl-2-oxabicyclo[3.2.1]octan-8-yl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGKHFTMVWRRKQK-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.245 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.462 |
| Compound Name | (1,4-Dimethyl-2-oxabicyclo[3.2.1]octan-8-yl)methanol |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5981623999999999 |
| Inchi | InChI=1S/C10H18O2/c1-7-6-12-10(2)4-3-8(7)9(10)5-11/h7-9,11H,3-6H2,1-2H3 |
| Smiles | CC1COC2(CCC1C2CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients