(4R,6S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene
PubChem CID: 21675021
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| Compound Synonyms | CHEMBL458128 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4R,6S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Is Pains | False |
| Molecular Formula | C15H23Br |
| Prediction Swissadme | 0.0 |
| Inchi Key | FATUEZUBMFMGFR-UKRRQHHQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (4R,6S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.098 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | -4.5697686 |
| Inchi | InChI=1S/C15H23Br/c1-11-7-9-15(10-8-11)12(2)5-6-13(16)14(15,3)4/h5,7,13H,6,8-10H2,1-4H3/t13-,15-/m1/s1 |
| Smiles | CC1=CC[C@@]2(CC1)C(=CC[C@H](C2(C)C)Br)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients