1,4-Dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol
PubChem CID: 5318260
Connections displayed (default: 10).
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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 | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZYDNGSONZSLGW-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.373 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.411 |
| Compound Name | 1,4-Dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3240631999999999 |
| Inchi | InChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3 |
| Smiles | CC1COC2(C(CC1C2=C)O)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 Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients