6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2-carbaldehyde
PubChem CID: 5321322
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2-carbaldehyde |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RWNMAVPZZYEQKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -3.907 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.998 |
| Compound Name | 6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.908901 |
| Inchi | InChI=1S/C15H24O2/c1-10-4-5-11-8-15(17-14(11,2)3)12(9-16)6-7-13(10)15/h9-13H,4-8H2,1-3H3 |
| Smiles | CC1CCC2CC3(C1CCC3C=O)OC2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gynura Segetum (Plant) Rel Props:Source_db:cmaup_ingredients