Matatabiether
PubChem CID: 5319300
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Matatabiether, CHEBI:229164, 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPKUXNWLHMGFBZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -2.879 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.026 |
| Compound Name | Matatabiether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2694368000000003 |
| Inchi | InChI=1S/C11H18O/c1-8-7-12-11(3)6-4-5-10(8)9(11)2/h8,10H,2,4-7H2,1,3H3 |
| Smiles | CC1COC2(CCCC1C2=C)C |
| Nring | 6.0 |
| 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 Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients