(1S,5R,8R,9S,13S)-8-methyl-4,12-dimethylidene-2-oxatricyclo[7.3.1.05,13]tridecan-3-one
PubChem CID: 162855618
Connections displayed (default: 10).
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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 | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,5R,8R,9S,13S)-8-methyl-4,12-dimethylidene-2-oxatricyclo[7.3.1.05,13]tridecan-3-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQBYVMJMIXKUFB-SUDMAZQFSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.45 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.682 |
| Compound Name | (1S,5R,8R,9S,13S)-8-methyl-4,12-dimethylidene-2-oxatricyclo[7.3.1.05,13]tridecan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5421025999999993 |
| Inchi | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14-9(2)5-6-11(8)13(12)14/h8,11-14H,2-7H2,1H3/t8-,11+,12+,13+,14-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CCC(=C)[C@H]3OC(=O)C2=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients