(6R,11S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,3,8-trien-11-ol
PubChem CID: 163078759
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,11S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,3,8-trien-11-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H21BrO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BILZFZSZRBQMON-ZFWWWQNUSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.385 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.596 |
| Compound Name | (6R,11S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,3,8-trien-11-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.078 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 297.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9634631999999996 |
| Inchi | InChI=1S/C15H21BrO/c1-10-7-8-15(13(17)9-10)11(2)5-6-12(16)14(15,3)4/h5-7,13,17H,8-9H2,1-4H3/t13-,15-/m0/s1 |
| Smiles | CC1=CC[C@@]2([C@H](C1)O)C(=CC=C(C2(C)C)Br)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients