Orientalol F
PubChem CID: 11020886
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| Compound Synonyms | Orientalol F, (1R,2R,7S,8R)-1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol, (1R,2R,7S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo(6.2.1.02,6)undec-5-en-7-ol, 462106-99-6 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,7S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OPAPNRSNRRMTSU-FAAHXZRKSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.658 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.188 |
| Compound Name | Orientalol F |
| Prediction Hob Swissadme | 1.0 |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3230009999999996 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h9,11,13,16H,5-8H2,1-4H3/t11-,13+,14-,15-/m1/s1 |
| Smiles | CC1=C2[C@@H](CC1)[C@]3(CC[C@@]([C@H]2O)(O3)C(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alisma Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients