[(1R,2R,5S,7S,8S)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol
PubChem CID: 10889508
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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 | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(1R,2R,5S,7S,8S)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTMJGGMQCFLMFK-HYFYGGESSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.887 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.492 |
| Compound Name | [(1R,2R,5S,7S,8S)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9499063999999997 |
| Inchi | InChI=1S/C15H26O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h10-13,16H,4-9H2,1-3H3/t10-,11+,12+,13+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@@]13CC[C@@H](C3)[C@@H](C2(C)C)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients