Bicyclo[2.2.2]oct-5-en-2-one
PubChem CID: 137507
Connections displayed (default: 10).
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| Compound Synonyms | Bicyclo[2.2.2]oct-5-en-2-one, 2220-40-8, bicyclo[2.2.2]oct-2-en-5-one, Bicyclo[2.2.2]octenone, Bicyclo(2.2.2)oct-5-en-2-one, DTXSID00944854, Bicyclo[2.2.2]oct-5-ene-2-one, NSC 167508, Bicyclo(2.2.2)octenone, Bicyclo(2.2.2)oct-5-ene-2-one, NSC167508, SCHEMBL678634, DTXCID80857837, bicyclo[2,2,2]oct-5-en-2-one, bicyclo[2.2.2]oct-7-en-6-one, AKOS015900098, AT28335, NSC-167508, (+)-bicyclo[2.2.2]oct-5-en-2-one, DB-028742, CS-0348585, EN300-110290, rac-(1R*,4R*)-bicyclo[2.2.2]oct-5-en-2-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[2.2.2]oct-5-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C8H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJVGEBBKXJLFPB-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -1.333 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.605 |
| Compound Name | Bicyclo[2.2.2]oct-5-en-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3912353999999998 |
| Inchi | InChI=1S/C8H10O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-7H,2,4-5H2 |
| Smiles | C1CC2C=CC1CC2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients