(4S,6R,9R,10R)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol
PubChem CID: 101356858
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4S,6R,9R,10R)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24Br2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKZVLPVFTMUQRT-CTHBEMJXSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.688 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.326 |
| Compound Name | (4S,6R,9R,10R)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.017 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 380.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.937516799999999 |
| Inchi | InChI=1S/C15H24Br2O/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5,11-12,18H,6-9H2,1-4H3/t11-,12+,14+,15+/m0/s1 |
| Smiles | CC1=CC[C@@H](C([C@@]12CC[C@@]([C@@H](C2)Br)(C)O)(C)C)Br |
| 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