(1R,3R,5R,6R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-3,6-diol
PubChem CID: 162887573
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3R,5R,6R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-3,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUAASKRYNOBPBG-AMVBZWJASA-N |
| Fcsp3 | 1.0 |
| Logs | -2.37 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.342 |
| Compound Name | (1R,3R,5R,6R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-3,6-diol |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4662002000000003 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)11(17)8-15-6-4-5-14(3,9-15)7-10(16)12(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14-,15+/m1/s1 |
| Smiles | C[C@]12CCC[C@@]3(C1)C[C@H](C([C@@H]3[C@@H](C2)O)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Zuccarini (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hymenoxys Microcephala (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saussurea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Schefflera Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tecoma Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Tithonia Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients