(4R,6S,9S,10S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene
PubChem CID: 14108781
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| 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 | (4R,6S,9S,10S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C15H23Br2Cl |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZPXHDWNADVHCRP-DHMWGJHJSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.342 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.573 |
| Compound Name | (4R,6S,9S,10S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 397.983 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 395.986 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 398.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.851982 |
| Inchi | InChI=1S/C15H23Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5,11-12H,6-9H2,1-4H3/t11-,12+,14+,15+/m1/s1 |
| Smiles | CC1=CC[C@H](C([C@]12CC[C@]([C@H](C2)Br)(C)Cl)(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 Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients