(1R,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalen-1-ol
PubChem CID: 21575628
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalen-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SKTNVTDTHGDEEV-BPLDGKMQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.289 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.018 |
| Compound Name | (1R,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalen-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3200072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h9-10,12,14,16H,3,5-8H2,1-2,4H3/t12-,14-,15-/m1/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]2([C@@H](CCC(=C)C2=C1)O)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