(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
PubChem CID: 44575859
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| Compound Synonyms | CHEMBL521019 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | XMGYHZMNIUZSLJ-NIFZNCRKSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.8458064 |
| Inchi | InChI=1S/C15H26O/c1-11-5-4-7-15-9-12(14(3,16)10-15)6-8-13(11,15)2/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1 |
| Smiles | C[C@@H]1CCC[C@@]23[C@]1(CC[C@H](C2)[C@@](C3)(C)O)C |
| Xlogp | 4.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26O |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Indica (Plant) Rel Props:Source_db:cmaup_ingredients