2,2,7,9-Tetramethyl-3-oxatricyclo[6.3.1.0(4,9)]dodecane
PubChem CID: 536617
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| Compound Synonyms | 2,2,7,9-Tetramethyl-3-oxatricyclo[6.3.1.0(4,9)]dodecane, NVADVJRRZSUKPI-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,7,9-tetramethyl-3-oxatricyclo[6.3.1.04,9]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVADVJRRZSUKPI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.765 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.417 |
| Compound Name | 2,2,7,9-Tetramethyl-3-oxatricyclo[6.3.1.0(4,9)]dodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6316064 |
| Inchi | InChI=1S/C15H26O/c1-10-5-6-13-15(4)8-7-11(9-12(10)15)14(2,3)16-13/h10-13H,5-9H2,1-4H3 |
| Smiles | CC1CCC2C3(C1CC(CC3)C(O2)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients