(1S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
PubChem CID: 6325536
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YEHOSOZZRKVZEO-OJUOKHNCSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.334 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.25 |
| Compound Name | (1S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0882001999999997 |
| Inchi | InChI=1S/C15H26O2/c1-9-5-6-12-10(2)13(16)7-11-8-15(9,12)17-14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9?,10-,11-,12-,13+,15+/m1/s1 |
| Smiles | C[C@@H]1[C@H]2CCC([C@@]23C[C@@H](C[C@@H]1O)C(O3)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligularia Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients