2-(4,7-Dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-1-ol
PubChem CID: 5320412
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| Compound Synonyms | Artemisinol, CHEBI:229057, 2-(4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGIBMKUEWBYMCC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.29 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.23 |
| Compound Name | 2-(4,7-Dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2177056 |
| Inchi | InChI=1S/C15H28O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h10-16H,4-9H2,1-3H3 |
| Smiles | CC1CCC2C(CCC(C2C1)C(C)CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients