(4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
PubChem CID: 21675030
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H23Br |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZATQJGNPERFQSF-HIFRSBDPSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.226 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.32 |
| Compound Name | (4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.098 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.098 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 283.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.601268599999999 |
| Inchi | InChI=1S/C15H23Br/c1-11-7-9-15(10-8-11)12(2)5-6-13(16)14(15,3)4/h7,13H,2,5-6,8-10H2,1,3-4H3/t13-,15+/m1/s1 |
| Smiles | CC1=CC[C@]2(CC1)C(=C)CC[C@H](C2(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